#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6y h PHE 3 N 0.00 -0.08 -0.01 1.24 3.04 -2.03 -1.51 116.94 117.59 2j6y h PHE 3 Ca 0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2j6y h PHE 3 Cb 0.00 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 2j6y h PHE 3 CO 0.00 0.36 -0.18 0.00 -2.02 0.00 0.00 178.31 176.46 2j6y h ARG 4 N -0.54 0.02 0.00 1.11 3.08 -2.00 -1.95 114.38 114.09 2j6y h ARG 4 Ca -0.01 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2j6y h ARG 4 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2j6y h ARG 4 CO 0.01 0.20 -0.42 0.93 -1.07 0.00 0.00 179.97 179.63 2j6y h GLU 5 N 0.02 0.00 -0.21 0.04 5.08 -1.81 -3.19 114.58 114.51 2j6y h GLU 5 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2j6y h GLU 5 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2j6y h GLU 5 CO 0.02 0.42 0.00 1.33 -1.00 0.00 0.00 179.01 179.78 2j6y n VAL 6 N -4.03 0.87 -0.13 3.13 0.24 -0.91 -4.72 118.33 112.77 2j6y n VAL 6 Ca -0.02 -0.93 0.01 0.00 -2.04 0.00 0.00 64.34 61.36 2j6y n VAL 6 Cb 0.45 0.59 0.28 0.00 -1.47 0.00 0.00 33.84 33.69 2j6y n VAL 6 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2j6y h ILE 7 N 1.43 1.18 -0.45 1.34 2.10 -1.36 -0.24 117.51 121.51 2j6y h ILE 7 Ca 0.00 -0.43 -0.11 0.00 1.08 0.00 0.00 64.86 65.40 2j6y h ILE 7 Cb 0.62 0.35 -0.01 0.00 -1.09 0.00 0.00 36.82 36.68 2j6y h ILE 7 CO 0.00 0.19 -0.16 -0.33 -1.08 0.00 0.00 178.15 176.77 2j6y h GLU 8 N 0.83 0.90 -0.77 2.19 5.08 -1.84 -1.11 114.58 119.86 2j6y h GLU 8 Ca 0.22 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 2j6y h GLU 8 Cb -0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2j6y h GLU 8 CO -0.04 1.02 0.42 1.96 -1.00 0.00 0.00 179.01 181.37 2j6y h GLN 9 N 0.74 1.08 -0.35 2.33 7.50 -1.70 0.79 115.11 125.51 2j6y h GLN 9 Ca 0.11 -0.13 -0.02 0.00 0.50 0.00 0.00 58.65 59.11 2j6y h GLN 9 Cb 0.72 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 28.03 2j6y h GLN 9 CO 0.06 0.81 0.15 -0.09 -1.50 0.00 0.00 178.83 178.25 2j6y h ARG 10 N 1.07 0.51 -0.44 1.46 9.65 -0.92 -2.21 114.38 123.50 2j6y h ARG 10 Ca 0.27 -0.09 -0.14 0.00 -1.10 0.00 0.00 59.98 58.92 2j6y h ARG 10 Cb 0.05 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 2j6y h ARG 10 CO -0.04 0.49 -0.27 -0.92 2.80 0.00 0.00 179.97 182.03 2j6y h TYR 11 N 0.41 1.10 -0.39 2.20 3.20 -0.97 -1.20 116.97 121.33 2j6y h TYR 11 Ca 0.12 -0.29 0.07 0.00 3.14 0.00 0.00 58.73 61.77 2j6y h TYR 11 Cb 0.16 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 2j6y h TYR 11 CO -0.01 1.10 0.01 1.25 -1.64 0.00 0.00 178.16 178.88 2j6y h HIS 12 N 0.81 0.00 -0.02 -3.82 2.76 -0.76 0.15 115.15 114.28 2j6y h HIS 12 Ca 0.09 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2j6y h HIS 12 Cb 0.85 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.87 2j6y h HIS 12 CO 0.05 -0.06 0.01 0.37 -1.30 0.00 0.00 177.93 177.00 2j6y h GLN 13 N 0.12 0.03 -0.22 5.26 -0.00 -1.02 -2.25 115.11 117.03 2j6y h GLN 13 Ca 0.19 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.74 2j6y h GLN 13 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 2j6y h GLN 13 CO -0.31 0.04 -0.26 -0.07 0.00 0.00 0.00 178.83 178.23 2j6y h LEU 14 N 0.00 0.61 -0.17 -2.39 3.38 -0.95 -0.86 115.31 114.94 2j6y h LEU 14 Ca 0.01 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 2j6y h LEU 14 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2j6y h LEU 14 CO -0.00 0.98 -0.00 0.25 0.09 0.00 0.00 178.44 179.76 2j6y h LEU 15 N 0.26 0.29 -1.21 1.67 5.85 -0.73 -2.08 115.31 119.36 2j6y h LEU 15 Ca 0.03 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2j6y h LEU 15 Cb 0.83 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 2j6y h LEU 15 CO 0.06 0.53 0.35 0.77 -0.34 0.00 0.00 178.44 179.81 2j6y h SER 16 N 0.05 0.79 0.19 1.25 4.64 -1.41 -0.69 113.55 118.37 2j6y h SER 16 Ca 0.05 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2j6y h SER 16 Cb 0.38 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2j6y h SER 16 CO 0.01 0.65 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.43 2j6y h ARG 17 N 0.90 -0.24 -0.07 4.77 2.43 -0.95 -2.05 114.38 119.15 2j6y h ARG 17 Ca 0.23 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2j6y h ARG 17 Cb 0.03 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2j6y h ARG 17 CO -0.04 -0.14 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.34 2j6y h TYR 18 N -0.29 -0.06 -0.81 2.20 3.20 -1.06 0.56 116.97 120.71 2j6y h TYR 18 Ca -0.03 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.93 2j6y h TYR 18 Cb 0.22 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 2j6y h TYR 18 CO -0.05 -0.04 0.48 0.82 -1.64 0.00 0.00 178.16 177.72 2j6y h ILE 19 N -0.01 0.96 -0.09 1.81 2.04 -1.12 0.42 117.51 121.51 2j6y h ILE 19 Ca 0.04 -0.29 -0.24 0.00 1.00 0.00 0.00 64.86 65.38 2j6y h ILE 19 Cb 0.07 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.22 2j6y h ILE 19 CO -0.08 0.15 -0.87 0.00 0.00 0.00 0.00 178.15 177.35 2j6y h ALA 20 N 1.43 0.27 0.05 1.87 0.00 -0.99 -3.38 119.26 118.50 2j6y h ALA 20 Ca 0.38 -0.64 -0.38 0.00 0.00 0.00 0.00 54.91 54.27 2j6y h ALA 20 Cb 0.28 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2j6y h ALA 20 CO -0.22 0.70 -2.26 0.39 0.00 0.00 0.00 179.25 177.86 2j6y n GLU 21 N -3.89 0.69 -2.04 0.00 1.02 0.15 -5.00 120.64 111.57 2j6y n GLU 21 Ca -0.08 0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 57.09 2j6y n GLU 21 Cb 0.79 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.58 2j6y n GLU 21 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2j6y n LEU 22 N -3.41 -1.46 -4.93 -4.62 4.77 0.15 -4.98 117.00 102.51 2j6y n LEU 22 Ca -0.40 0.22 -0.25 0.00 -0.03 0.00 0.00 56.01 55.54 2j6y n LEU 22 Cb 1.00 -2.54 -0.00 0.00 -2.33 0.00 0.00 43.42 39.54 2j6y n LEU 22 CO 0.32 -0.48 0.30 0.42 -1.33 0.00 0.00 177.39 176.62 2j6y s THR 23 N -2.70 4.91 0.37 -5.08 -4.23 -1.26 -4.98 115.64 102.68 2j6y s THR 23 Ca 0.00 -0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.41 2j6y s THR 23 Cb 0.00 -3.83 0.13 0.00 1.34 0.00 0.00 72.50 70.15 2j6y s THR 23 CO 0.00 -0.66 1.87 0.11 -0.54 0.00 0.00 174.62 175.41 2j6y h LYS 24 N 0.49 0.21 -0.41 3.99 1.79 -1.99 -1.54 116.57 119.12 2j6y h LYS 24 Ca -0.48 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 57.88 2j6y h LYS 24 Cb 1.22 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 2j6y h LYS 24 CO 0.61 0.41 0.07 1.15 -1.08 0.00 0.00 179.45 180.61 2j6y h THR 25 N 0.19 1.24 -0.50 -0.16 2.02 -1.99 0.51 112.91 114.23 2j6y h THR 25 Ca 0.04 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.26 2j6y h THR 25 Cb 0.47 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2j6y h THR 25 CO 0.03 0.29 -0.07 0.77 0.37 0.00 0.00 175.52 176.91 2j6y h SER 26 N 0.52 0.88 -0.75 4.18 4.64 -1.90 -2.70 113.55 118.42 2j6y h SER 26 Ca 0.12 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2j6y h SER 26 Cb 0.36 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 2j6y h SER 26 CO 0.01 0.98 0.45 0.25 -0.87 0.00 0.00 176.83 177.65 2j6y h LEU 27 N 0.81 0.92 -1.88 5.97 5.85 -1.03 -2.73 115.31 123.21 2j6y h LEU 27 Ca 0.14 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.90 2j6y h LEU 27 Cb 0.59 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2j6y h LEU 27 CO 0.04 0.71 0.30 0.22 -0.34 0.00 0.00 178.44 179.37 2j6y h TYR 28 N 1.05 0.14 0.00 1.25 3.20 -0.56 -0.59 116.97 121.46 2j6y h TYR 28 Ca 0.27 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2j6y h TYR 28 Cb -0.03 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 2j6y h TYR 28 CO 0.00 0.07 -0.03 1.96 -1.64 0.00 0.00 178.16 178.53 2j6y h GLN 29 N 0.13 0.00 -0.92 1.82 1.08 -1.46 -0.38 115.11 115.38 2j6y h GLN 29 Ca 0.20 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.50 2j6y h GLN 29 Cb 0.63 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.99 2j6y h GLN 29 CO -0.03 0.03 0.59 0.00 -0.95 0.00 0.00 178.83 178.47 2j6y h ALA 30 N 1.97 1.61 -0.07 3.87 0.00 -1.26 -0.89 119.26 124.50 2j6y h ALA 30 Ca -0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2j6y h ALA 30 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2j6y h ALA 30 CO 0.00 0.19 -0.75 1.96 0.00 0.00 0.00 179.25 180.66 2j6y h GLN 31 N 0.91 0.39 -0.26 0.00 4.20 -1.23 -1.26 115.11 117.87 2j6y h GLN 31 Ca 0.43 -0.33 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 2j6y h GLN 31 Cb 0.42 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2j6y h GLN 31 CO -0.19 0.97 -0.40 0.87 -0.67 0.00 0.00 178.83 179.41 2j6y h LYS 32 N 0.26 0.61 0.42 1.46 1.79 -1.39 -1.97 116.57 117.74 2j6y h LYS 32 Ca -0.03 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.10 2j6y h LYS 32 Cb 1.33 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 2j6y h LYS 32 CO 0.13 0.91 -0.20 0.35 -1.08 0.00 0.00 179.45 179.56 2j6y h PHE 33 N 0.50 -0.52 -0.61 -1.35 3.57 -1.03 -2.81 116.94 114.68 2j6y h PHE 33 Ca 0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2j6y h PHE 33 Cb 0.92 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 2j6y h PHE 33 CO 0.04 -0.30 0.41 0.66 -2.23 0.00 0.00 178.31 176.89 2j6y h SER 34 N -0.60 0.69 -0.43 0.41 4.64 -1.24 -0.26 113.55 116.77 2j6y h SER 34 Ca -0.06 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 2j6y h SER 34 Cb 0.45 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 2j6y h SER 34 CO 0.09 0.50 0.16 -0.09 -0.87 0.00 0.00 176.83 176.62 2j6y h ARG 35 N 0.81 0.33 -0.33 4.77 9.65 -1.22 -0.71 114.38 127.69 2j6y h ARG 35 Ca 0.23 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.95 2j6y h ARG 35 Cb -0.06 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 2j6y h ARG 35 CO -0.05 0.22 -0.35 0.87 2.80 0.00 0.00 179.97 183.45 2j6y h LYS 36 N 0.34 0.74 -0.28 0.20 1.79 -1.02 -1.88 116.57 116.46 2j6y h LYS 36 Ca 0.20 -0.36 -0.16 0.00 -2.18 0.00 0.00 60.65 58.14 2j6y h LYS 36 Cb 0.17 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2j6y h LYS 36 CO -0.19 0.98 -0.46 1.79 -1.08 0.00 0.00 179.45 180.49 2j6y h THR 37 N 0.62 1.29 -0.73 -0.16 1.35 -0.94 -1.86 112.91 112.47 2j6y h THR 37 Ca 0.06 -1.65 0.05 0.00 -0.55 0.00 0.00 66.41 64.31 2j6y h THR 37 Cb 0.89 1.64 -0.05 0.00 -1.73 0.00 0.00 68.15 68.90 2j6y h THR 37 CO 0.08 0.54 0.44 0.40 -0.25 0.00 0.00 175.52 176.73 2j6y h ILE 38 N 0.58 1.04 0.00 6.82 2.04 -1.08 -1.44 117.51 125.47 2j6y h ILE 38 Ca 0.02 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2j6y h ILE 38 Cb 1.07 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2j6y h ILE 38 CO 0.11 0.15 -0.03 -0.33 0.00 0.00 0.00 178.15 178.05 2j6y h GLU 39 N 0.83 0.00 -0.50 2.37 5.08 -0.96 -1.44 114.58 119.96 2j6y h GLU 39 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2j6y h GLU 39 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2j6y h GLU 39 CO -0.15 0.03 0.00 0.72 -1.00 0.00 0.00 179.01 178.61 2j6y n HIS 40 N -3.51 1.31 -2.95 4.33 8.25 -0.61 -4.98 115.22 117.07 2j6y n HIS 40 Ca -0.02 -0.68 -0.22 0.00 -0.26 0.00 0.00 57.72 56.53 2j6y n HIS 40 Cb 0.13 -0.27 0.03 0.00 1.12 0.00 0.00 29.99 31.00 2j6y n HIS 40 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2j6y n GLN 41 N 0.57 -4.55 -2.76 -0.41 3.00 -0.54 -4.95 117.38 107.74 2j6y n GLN 41 Ca 0.23 0.93 -0.42 0.00 -0.01 0.00 0.00 57.00 57.73 2j6y n GLN 41 Cb 0.88 -5.78 -0.03 0.00 0.00 0.00 0.00 30.24 25.31 2j6y n GLN 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2j6y s ILE 42 N -3.17 4.70 0.65 5.09 -1.09 -0.81 -5.02 121.20 121.55 2j6y s ILE 42 Ca 0.27 1.71 -0.13 0.00 -2.23 0.00 0.00 60.65 60.26 2j6y s ILE 42 Cb -0.12 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.49 2j6y s ILE 42 CO 0.33 -0.23 1.06 -2.16 -1.23 0.00 0.00 174.94 172.71 2j6y s PRO 43 N 3.17 3.09 0.41 2.79 0.04 -1.26 -4.68 135.00 138.56 2j6y s PRO 43 Ca 0.40 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.58 2j6y s PRO 43 Cb -0.14 -2.01 0.86 0.00 0.04 0.00 0.00 34.50 33.25 2j6y s PRO 43 CO 0.09 -0.99 2.05 -1.00 0.04 0.00 0.00 177.00 177.20 2j6y h PRO 44 N -0.21 0.53 -0.97 0.56 0.13 -1.94 -2.08 132.00 128.02 2j6y h PRO 44 Ca -0.45 -0.04 0.11 0.00 -0.87 0.00 0.00 66.00 64.75 2j6y h PRO 44 Cb 1.21 -0.12 -0.08 0.00 0.13 0.00 0.00 31.00 32.15 2j6y h PRO 44 CO 0.57 0.36 0.60 1.05 -0.23 0.00 0.00 178.00 180.35 2j6y h GLU 45 N 0.54 0.96 -0.38 0.86 9.09 -1.90 -1.63 114.58 122.12 2j6y h GLU 45 Ca 0.14 -0.06 -0.06 0.00 0.05 0.00 0.00 59.36 59.43 2j6y h GLU 45 Cb -0.04 -0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 26.82 2j6y h GLU 45 CO -0.03 0.63 -0.03 1.49 0.05 0.00 0.00 179.01 181.12 2j6y h GLU 46 N 0.99 0.61 -0.63 1.06 4.81 -1.74 -0.21 114.58 119.47 2j6y h GLU 46 Ca 0.47 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2j6y h GLU 46 Cb 0.41 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2j6y h GLU 46 CO -0.25 0.65 0.33 0.82 -0.73 0.00 0.00 179.01 179.84 2j6y h ILE 47 N 0.57 1.21 -0.62 2.32 1.08 -1.28 -0.37 117.51 120.43 2j6y h ILE 47 Ca 0.12 -0.54 -0.08 0.00 -0.39 0.00 0.00 64.86 63.97 2j6y h ILE 47 Cb 0.41 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2j6y h ILE 47 CO 0.02 0.23 0.09 0.40 -0.69 0.00 0.00 178.15 178.20 2j6y h ILE 48 N 0.86 1.26 -0.63 -0.67 2.04 -0.84 -0.08 117.51 119.44 2j6y h ILE 48 Ca 0.22 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 65.13 2j6y h ILE 48 Cb 0.06 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 2j6y h ILE 48 CO -0.03 0.38 0.31 0.28 0.00 0.00 0.00 178.15 179.08 2j6y h SER 49 N 0.93 0.42 -0.31 1.72 0.02 -0.87 -0.27 113.55 115.19 2j6y h SER 49 Ca 0.19 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2j6y h SER 49 Cb 0.44 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2j6y h SER 49 CO 0.01 0.26 0.20 0.40 -1.14 0.00 0.00 176.83 176.56 2j6y h ILE 50 N 0.56 1.09 -0.69 3.27 2.04 -0.63 -2.38 117.51 120.77 2j6y h ILE 50 Ca 0.30 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 66.05 2j6y h ILE 50 Cb 0.26 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2j6y h ILE 50 CO -0.23 0.09 0.36 -0.74 0.00 0.00 0.00 178.15 177.63 2j6y h HIS 51 N 0.41 0.64 -0.49 1.37 2.76 -0.58 0.60 115.15 119.87 2j6y h HIS 51 Ca 0.11 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2j6y h HIS 51 Cb -0.03 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 2j6y h HIS 51 CO -0.05 0.25 0.31 -0.09 -1.30 0.00 0.00 177.93 177.06 2j6y h ARG 52 N 0.62 0.65 -0.07 5.26 2.43 -0.63 0.20 114.38 122.84 2j6y h ARG 52 Ca 0.33 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2j6y h ARG 52 Cb 0.31 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2j6y h ARG 52 CO -0.24 0.44 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.38 2j6y h LYS 53 N 0.66 0.17 -0.54 0.20 3.64 -0.94 -1.50 116.57 118.25 2j6y h LYS 53 Ca 0.18 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 2j6y h LYS 53 Cb -0.06 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2j6y h LYS 53 CO -0.04 0.58 -0.07 0.28 -2.27 0.00 0.00 179.45 177.93 2j6y h VAL 54 N -0.24 1.26 -0.37 2.00 2.07 -0.73 -1.62 116.25 118.63 2j6y h VAL 54 Ca 0.01 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 2j6y h VAL 54 Cb 0.54 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2j6y h VAL 54 CO 0.01 0.43 -0.05 0.25 0.02 0.00 0.00 177.57 178.23 2j6y h LEU 55 N 0.89 0.59 -0.66 2.57 5.85 -0.51 -0.31 115.31 123.73 2j6y h LEU 55 Ca 0.15 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2j6y h LEU 55 Cb 0.62 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2j6y h LEU 55 CO 0.04 0.69 -0.03 0.50 -0.34 0.00 0.00 178.44 179.30 2j6y h LYS 56 N 0.57 1.01 -0.32 1.25 1.63 -0.83 -1.76 116.57 118.12 2j6y h LYS 56 Ca 0.11 -0.33 -0.09 0.00 -0.85 0.00 0.00 60.65 59.49 2j6y h LYS 56 Cb 0.44 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2j6y h LYS 56 CO 0.02 1.01 -0.16 0.93 -3.45 0.00 0.00 179.45 177.80 2j6y h GLU 57 N 0.92 0.68 -0.34 1.90 5.08 -1.01 -2.71 114.58 119.10 2j6y h GLU 57 Ca 0.16 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2j6y h GLU 57 Cb 0.57 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2j6y h GLU 57 CO 0.03 0.89 0.09 -0.07 -1.00 0.00 0.00 179.01 178.96 2j6y h LEU 58 N 0.44 0.45 -5.93 1.33 3.38 -0.92 -3.38 115.31 110.68 2j6y h LEU 58 Ca 0.07 -0.05 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 2j6y h LEU 58 Cb 0.69 -0.12 -0.37 0.00 0.09 0.00 0.00 40.66 40.96 2j6y h LEU 58 CO 0.05 0.45 -1.06 -1.22 0.09 0.00 0.00 178.44 176.74 2j6y n TYR 59 N -4.36 -0.60 0.29 1.13 4.01 -0.67 -4.97 117.16 111.98 2j6y n TYR 59 Ca 0.02 -3.42 0.18 0.00 -0.16 0.00 0.00 57.90 54.52 2j6y n TYR 59 Cb 0.17 -0.20 0.90 0.00 -0.31 0.00 0.00 39.34 39.90 2j6y n TYR 59 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2j6y h PRO 60 N 4.01 0.00 -0.00 -0.72 0.13 -1.67 -2.05 132.00 131.70 2j6y h PRO 60 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2j6y h PRO 60 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2j6y h PRO 60 CO 0.45 0.00 -0.50 -1.13 -0.23 0.00 0.00 178.00 176.59 2j6y n SER 61 N -2.80 0.82 -4.51 1.44 3.41 -1.26 -4.95 113.62 105.77 2j6y n SER 61 Ca -0.01 -0.62 -0.44 0.00 -0.26 0.00 0.00 58.87 57.54 2j6y n SER 61 Cb 0.12 0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2j6y n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2j6y n LEU 62 N -1.17 0.69 -4.67 1.04 4.77 -0.77 -4.86 117.00 112.03 2j6y n LEU 62 Ca 0.07 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.70 2j6y n LEU 62 Cb 0.35 -1.17 0.01 0.00 -2.33 0.00 0.00 43.42 40.27 2j6y n LEU 62 CO 0.33 -2.23 0.78 -2.65 -1.33 0.00 0.00 177.39 172.30 2j6y n PRO 63 N 0.66 1.75 0.08 3.23 -0.02 -1.26 -4.88 135.00 134.56 2j6y n PRO 63 Ca 0.12 0.62 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 2j6y n PRO 63 Cb 0.34 -2.25 0.56 0.00 -0.02 0.00 0.00 33.50 32.14 2j6y n PRO 63 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2j6y h GLU 64 N 1.98 0.23 -0.31 -0.52 4.57 -1.97 -2.29 114.58 116.27 2j6y h GLU 64 Ca -0.46 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.74 2j6y h GLU 64 Cb 1.31 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 2j6y h GLU 64 CO 0.59 0.15 0.21 -0.44 -1.18 0.00 0.00 179.01 178.34 2j6y h ASP 65 N 0.23 0.21 -0.64 1.04 3.32 -1.99 0.22 116.42 118.82 2j6y h ASP 65 Ca 0.14 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.26 2j6y h ASP 65 Cb 0.27 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 2j6y h ASP 65 CO -0.03 0.14 0.31 0.58 -1.72 0.00 0.00 179.24 178.53 2j6y h VAL 66 N 0.24 0.88 -0.06 -1.35 2.07 -1.78 -0.35 116.25 115.91 2j6y h VAL 66 Ca 0.13 -0.19 -0.21 0.00 0.82 0.00 0.00 66.70 67.25 2j6y h VAL 66 Cb 0.22 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2j6y h VAL 66 CO -0.03 0.10 -0.82 -0.26 0.02 0.00 0.00 177.57 176.58 2j6y h PHE 67 N 0.56 0.66 -0.99 1.57 0.04 -0.77 -2.20 116.94 115.81 2j6y h PHE 67 Ca 0.30 -0.32 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2j6y h PHE 67 Cb 0.28 -0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.28 2j6y h PHE 67 CO -0.11 1.11 0.64 0.45 -0.60 0.00 0.00 178.31 179.80 2j6y h HIS 68 N 0.30 1.18 -0.45 -0.55 3.86 -0.93 -1.18 115.15 117.38 2j6y h HIS 68 Ca -0.05 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2j6y h HIS 68 Cb 1.43 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 29.49 2j6y h HIS 68 CO 0.06 0.61 0.26 0.66 0.86 0.00 0.00 177.93 180.38 2j6y h SER 69 N 1.16 0.55 -0.35 2.45 4.64 -0.83 -1.98 113.55 119.19 2j6y h SER 69 Ca 0.43 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 2j6y h SER 69 Cb 0.17 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2j6y h SER 69 CO -0.17 0.47 0.19 -0.07 -0.87 0.00 0.00 176.83 176.39 2j6y h LEU 70 N 0.59 0.46 -0.72 5.97 3.38 -1.12 -0.73 115.31 123.14 2j6y h LEU 70 Ca 0.16 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2j6y h LEU 70 Cb 0.03 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2j6y h LEU 70 CO -0.03 0.38 0.33 0.44 0.09 0.00 0.00 178.44 179.65 2j6y h ASP 71 N 0.52 0.95 -0.71 -0.43 3.32 -0.50 -0.92 116.42 118.65 2j6y h ASP 71 Ca 0.13 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2j6y h ASP 71 Cb 0.03 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2j6y h ASP 71 CO -0.02 0.83 0.33 0.15 -1.72 0.00 0.00 179.24 178.81 2j6y h PHE 72 N 1.01 1.03 -0.44 4.55 3.57 -0.83 -2.13 116.94 123.69 2j6y h PHE 72 Ca 0.24 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 2j6y h PHE 72 Cb 0.15 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2j6y h PHE 72 CO 0.01 0.77 -0.18 1.25 -2.23 0.00 0.00 178.31 177.93 2j6y h LEU 73 N 0.99 0.93 -0.39 0.59 5.85 -0.84 -1.67 115.31 120.77 2j6y h LEU 73 Ca 0.24 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2j6y h LEU 73 Cb 0.14 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2j6y h LEU 73 CO -0.03 1.11 0.17 0.40 -0.34 0.00 0.00 178.44 179.75 2j6y h ILE 74 N 0.74 0.93 -0.48 4.05 2.04 -1.11 -0.70 117.51 122.98 2j6y h ILE 74 Ca 0.10 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.93 2j6y h ILE 74 Cb 0.75 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 2j6y h ILE 74 CO 0.06 0.06 0.07 -0.08 0.00 0.00 0.00 178.15 178.26 2j6y h GLU 75 N 0.35 0.19 -0.39 2.37 4.57 -1.03 -0.63 114.58 120.00 2j6y h GLU 75 Ca 0.17 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2j6y h GLU 75 Cb 0.12 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2j6y h GLU 75 CO -0.15 0.12 0.24 0.28 -1.18 0.00 0.00 179.01 178.33 2j6y h VAL 76 N 0.19 1.07 0.00 0.32 2.07 -0.73 -3.09 116.25 116.08 2j6y h VAL 76 Ca 0.24 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2j6y h VAL 76 Cb 0.33 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2j6y h VAL 76 CO -0.34 0.09 -0.07 -0.03 0.02 0.00 0.00 177.57 177.24 2j6y h MET 77 N 0.50 0.00 -0.59 1.57 1.85 -0.43 -2.58 114.93 115.25 2j6y h MET 77 Ca 0.15 0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.36 2j6y h MET 77 Cb -0.02 0.00 -0.12 0.00 0.43 0.00 0.00 31.60 31.89 2j6y h MET 77 CO -0.05 0.07 -0.22 0.82 -0.40 0.00 0.00 176.91 177.12 2j6y h ILE 78 N 0.00 0.29 -0.84 1.77 2.04 -1.05 -1.42 117.51 118.30 2j6y h ILE 78 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2j6y h ILE 78 Cb 0.43 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 2j6y h ILE 78 CO 0.01 0.00 0.55 1.23 0.00 0.00 0.00 178.15 179.94 2j6y h GLY 79 N -0.08 1.17 0.75 5.37 0.00 -1.60 -1.34 103.07 107.34 2j6y h GLY 79 Ca 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2j6y h GLY 79 CO -0.65 0.20 -0.10 -0.97 0.00 0.00 0.00 176.54 175.03 2j6y h TYR 80 N 0.82 -0.25 -0.57 5.60 0.05 -1.39 -2.11 116.97 119.12 2j6y h TYR 80 Ca 0.39 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 59.24 2j6y h TYR 80 Cb 0.40 0.08 -0.06 0.00 1.01 0.00 0.00 36.73 38.16 2j6y h TYR 80 CO -0.00 0.03 0.23 0.78 -1.05 0.00 0.00 178.16 178.14 2j6y h GLY 81 N -0.52 0.79 1.08 3.88 0.00 -0.98 0.20 103.07 107.52 2j6y h GLY 81 Ca -0.03 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 2j6y h GLY 81 CO 0.05 0.02 -0.60 -0.33 0.00 0.00 0.00 176.54 175.67 2j6y h MET 82 N 0.42 0.76 0.00 4.80 2.86 -1.22 -1.59 114.93 120.96 2j6y h MET 82 Ca 0.28 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 2j6y h MET 82 Cb 0.30 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2j6y h MET 82 CO -0.26 1.17 -0.12 0.00 1.06 0.00 0.00 176.91 178.76 2j6y h ALA 83 N 0.59 1.66 0.00 6.32 0.00 -1.20 -2.84 119.26 123.78 2j6y h ALA 83 Ca -0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2j6y h ALA 83 Cb 1.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2j6y h ALA 83 CO 0.13 0.15 -0.63 1.88 0.00 0.00 0.00 179.25 180.78 2j6y h TYR 84 N 0.00 0.00 -0.03 0.00 0.05 -0.38 -3.51 116.97 113.11 2j6y h TYR 84 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2j6y h TYR 84 Cb 0.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 2j6y h TYR 84 CO 0.00 0.63 0.00 1.04 -1.05 0.00 0.00 178.16 178.78