#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju2 s SER 2 N 0.00 -0.09 0.00 1.61 1.04 -1.26 -4.78 113.70 110.22 2ju2 s SER 2 Ca 0.00 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2ju2 s SER 2 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2ju2 s SER 2 CO 0.00 -0.08 0.00 1.41 0.98 0.00 0.00 173.24 175.55 2ju2 n HIS 3 N 3.54 0.00 -0.74 5.02 8.25 -1.26 -4.22 115.22 125.81 2ju2 n HIS 3 Ca -0.19 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.13 2ju2 n HIS 3 Cb 0.56 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.71 2ju2 n HIS 3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2ju2 n MET 4 N 0.00 1.69 0.19 -0.41 2.00 -1.26 -4.56 117.12 114.76 2ju2 n MET 4 Ca 0.00 -1.37 -0.13 0.00 0.00 0.00 0.00 57.70 56.20 2ju2 n MET 4 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 33.22 31.61 2ju2 n MET 4 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2ju2 h LEU 5 N 2.38 -1.08 -0.95 4.03 3.38 -1.86 0.78 115.31 121.99 2ju2 h LEU 5 Ca 0.26 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.44 2ju2 h LEU 5 Cb 1.03 0.37 -0.13 0.00 0.09 0.00 0.00 40.66 42.01 2ju2 h LEU 5 CO 0.65 -0.48 -0.46 0.54 0.09 0.00 0.00 178.44 178.78 2ju2 n ARG 6 N -4.70 -0.32 0.13 1.13 1.74 -1.26 0.12 116.66 113.50 2ju2 n ARG 6 Ca -0.08 1.45 -0.16 0.00 -0.77 0.00 0.00 57.85 58.29 2ju2 n ARG 6 Cb 0.34 -2.14 -0.09 0.00 -1.02 0.00 0.00 32.46 29.55 2ju2 n ARG 6 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2ju2 h ASP 7 N 0.00 -1.42 -0.42 0.55 1.82 -1.81 0.53 116.42 115.67 2ju2 h ASP 7 Ca 0.24 0.15 0.09 0.00 -0.39 0.00 0.00 57.03 57.12 2ju2 h ASP 7 Cb 0.48 0.52 -0.09 0.00 0.68 0.00 0.00 39.33 40.92 2ju2 h ASP 7 CO -0.92 -0.54 -0.24 -0.09 -1.61 0.00 0.00 179.24 175.84 2ju2 h ARG 8 N -0.74 -0.15 0.27 0.28 2.43 0.19 1.60 114.38 118.26 2ju2 h ARG 8 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2ju2 h ARG 8 Cb 0.74 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 2ju2 h ARG 8 CO -0.25 -0.10 -0.33 -0.07 -1.51 0.00 0.00 179.97 177.71 2ju2 h LEU 9 N -0.16 -0.93 -2.88 3.80 3.38 0.15 0.55 115.31 119.23 2ju2 h LEU 9 Ca 0.20 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 2ju2 h LEU 9 Cb 0.47 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 2ju2 h LEU 9 CO -0.52 -0.42 0.21 0.00 0.09 0.00 0.00 178.44 177.80 2ju2 n ALA 10 N -2.65 3.95 0.00 1.53 0.00 0.18 -3.14 120.51 120.38 2ju2 n ALA 10 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2ju2 n ALA 10 Cb 0.29 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2ju2 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ju2 n GLY 11 N 0.42 0.00 2.08 0.00 0.00 0.54 -4.88 105.19 103.36 2ju2 n GLY 11 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2ju2 n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ju2 n LEU 12 N -0.53 -1.67 -4.77 0.99 4.77 0.18 -4.89 117.00 111.09 2ju2 n LEU 12 Ca 0.00 0.10 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 2ju2 n LEU 12 Cb 0.04 -0.84 0.20 0.00 -2.33 0.00 0.00 43.42 40.50 2ju2 n LEU 12 CO 0.00 -0.46 0.75 -2.16 -1.33 0.00 0.00 177.39 174.19 2ju2 s PRO 13 N -0.82 -0.14 0.24 3.23 0.04 -1.26 -4.62 135.00 131.67 2ju2 s PRO 13 Ca 0.08 -0.19 -0.12 0.00 0.04 0.00 0.00 61.00 60.81 2ju2 s PRO 13 Cb -0.01 -1.73 0.33 0.00 0.04 0.00 0.00 34.50 33.12 2ju2 s PRO 13 CO 0.18 -2.97 1.58 -0.09 0.04 0.00 0.00 177.00 175.74 2ju2 h ARG 14 N -2.04 -0.02 0.00 4.56 2.43 -1.98 0.10 114.38 117.43 2ju2 h ARG 14 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2ju2 h ARG 14 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2ju2 h ARG 14 CO 0.39 -0.01 0.00 0.00 -1.51 0.00 0.00 179.97 178.83 2ju2 n ALA 15 N -3.39 -0.06 -0.34 2.80 0.00 -1.26 0.19 120.51 118.45 2ju2 n ALA 15 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.71 2ju2 n ALA 15 Cb 0.42 0.44 0.35 0.00 0.00 0.00 0.00 19.45 20.66 2ju2 n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ju2 h GLU 16 N 0.00 0.58 0.34 0.00 4.39 -1.57 0.23 114.58 118.54 2ju2 h GLU 16 Ca 0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2ju2 h GLU 16 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2ju2 h GLU 16 CO 0.00 0.38 -0.18 0.00 -1.16 0.00 0.00 179.01 178.05 2ju2 h ARG 17 N 0.60 -0.47 -0.44 2.33 2.47 0.20 1.46 114.38 120.53 2ju2 h ARG 17 Ca 0.61 0.03 0.03 0.00 -1.26 0.00 0.00 59.98 59.39 2ju2 h ARG 17 Cb 1.10 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.49 2ju2 h ARG 17 CO -0.46 -0.31 0.22 1.15 0.56 0.00 0.00 179.97 181.13 2ju2 h THR 18 N -0.49 0.98 0.00 2.04 2.02 0.40 0.81 112.91 118.67 2ju2 h THR 18 Ca -0.04 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2ju2 h THR 18 Cb 0.38 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2ju2 h THR 18 CO 0.06 0.08 -0.27 0.00 0.37 0.00 0.00 175.52 175.76 2ju2 h ALA 19 N 1.23 1.11 0.22 6.16 0.00 -0.41 -1.43 119.26 126.14 2ju2 h ALA 19 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ju2 h ALA 19 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ju2 h ALA 19 CO -0.13 0.34 -0.11 1.49 0.00 0.00 0.00 179.25 180.85 2ju2 h GLU 20 N 0.00 -0.28 -0.80 0.00 4.81 0.39 -3.01 114.58 115.69 2ju2 h GLU 20 Ca -0.00 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.39 2ju2 h GLU 20 Cb 0.70 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.05 2ju2 h GLU 20 CO 0.04 -0.13 0.38 -0.07 -0.73 0.00 0.00 179.01 178.49 2ju2 h LEU 21 N -1.06 0.43 -0.04 1.64 4.07 0.55 -2.10 115.31 118.79 2ju2 h LEU 21 Ca -0.03 0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.03 2ju2 h LEU 21 Cb 0.28 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2ju2 h LEU 21 CO 0.05 0.18 -0.17 0.58 -1.08 0.00 0.00 178.44 178.00 2ju2 h VAL 22 N 0.55 0.00 -0.96 1.22 2.07 -1.35 0.93 116.25 118.72 2ju2 h VAL 22 Ca 0.43 0.00 0.30 0.00 0.82 0.00 0.00 66.70 68.25 2ju2 h VAL 22 Cb 0.61 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.21 2ju2 h VAL 22 CO -0.37 0.00 0.25 -0.09 0.02 0.00 0.00 177.57 177.39 2ju2 h ARG 23 N -0.18 0.08 0.30 1.57 2.43 -1.27 0.53 114.38 117.84 2ju2 h ARG 23 Ca 0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2ju2 h ARG 23 Cb 0.21 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2ju2 h ARG 23 CO -0.13 0.06 -0.15 1.25 -1.51 0.00 0.00 179.97 179.49 2ju2 h LEU 24 N 0.09 -0.34 -0.48 3.80 6.46 -0.43 -2.55 115.31 121.86 2ju2 h LEU 24 Ca 0.66 -0.10 0.08 0.00 -0.12 0.00 0.00 57.88 58.40 2ju2 h LEU 24 Cb 1.48 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 41.40 2ju2 h LEU 24 CO -0.79 -0.10 -0.41 0.58 -0.62 0.00 0.00 178.44 177.11 2ju2 h VAL 25 N -0.58 0.13 -0.44 1.05 2.07 0.57 1.47 116.25 120.51 2ju2 h VAL 25 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2ju2 h VAL 25 Cb 0.42 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 2ju2 h VAL 25 CO 0.07 0.00 -0.43 0.03 0.02 0.00 0.00 177.57 177.25 2ju2 h ARG 26 N -0.27 -0.21 0.66 1.57 3.08 -0.76 0.78 114.38 119.24 2ju2 h ARG 26 Ca 0.17 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 2ju2 h ARG 26 Cb 0.57 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2ju2 h ARG 26 CO -0.62 -0.14 -0.35 1.15 -1.07 0.00 0.00 179.97 178.94 2ju2 h THR 27 N -0.22 0.29 -0.91 2.04 2.02 -0.85 0.04 112.91 115.31 2ju2 h THR 27 Ca 0.07 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.46 2ju2 h THR 27 Cb 0.41 0.29 -0.17 0.00 -1.74 0.00 0.00 68.15 66.94 2ju2 h THR 27 CO -0.53 0.00 -0.15 -1.28 0.37 0.00 0.00 175.52 173.93 2ju2 h SER 28 N -0.93 -0.71 0.82 4.18 0.87 0.26 1.39 113.55 119.42 2ju2 h SER 28 Ca -0.09 0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2ju2 h SER 28 Cb 0.73 0.52 0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2ju2 h SER 28 CO 0.13 -0.30 -0.39 0.74 -0.53 0.00 0.00 176.83 176.47 2ju2 h THR 29 N 0.01 0.00 -0.99 2.23 2.02 0.87 -2.66 112.91 114.40 2ju2 h THR 29 Ca 0.47 -0.10 0.23 0.00 0.77 0.00 0.00 66.41 67.78 2ju2 h THR 29 Cb 0.80 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.09 2ju2 h THR 29 CO -0.91 0.00 0.57 0.00 0.37 0.00 0.00 175.52 175.56 2ju2 h ALA 30 N -1.39 1.71 -0.67 6.16 0.00 0.75 0.94 119.26 126.76 2ju2 h ALA 30 Ca -0.11 0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.06 2ju2 h ALA 30 Cb 0.84 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2ju2 h ALA 30 CO 0.18 -0.22 0.46 1.15 0.00 0.00 0.00 179.25 180.82 2ju2 h THR 31 N 0.60 0.78 0.79 0.00 2.02 0.20 -1.70 112.91 115.60 2ju2 h THR 31 Ca 0.62 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.67 2ju2 h THR 31 Cb 1.12 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2ju2 h THR 31 CO -0.46 0.05 -0.38 0.58 0.37 0.00 0.00 175.52 175.68 2ju2 h VAL 32 N 0.27 0.16 -1.04 3.16 2.07 0.13 -2.50 116.25 118.51 2ju2 h VAL 32 Ca 0.32 -0.10 0.33 0.00 0.82 0.00 0.00 66.70 68.07 2ju2 h VAL 32 Cb 0.89 0.18 -0.14 0.00 -1.52 0.00 0.00 31.29 30.70 2ju2 h VAL 32 CO -0.07 0.01 0.61 -0.07 0.02 0.00 0.00 177.57 178.06 2ju2 h LEU 33 N -1.15 0.48 0.00 2.57 -0.00 -1.23 -3.44 115.31 112.55 2ju2 h LEU 33 Ca -0.11 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2ju2 h LEU 33 Cb 0.83 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2ju2 h LEU 33 CO 0.18 -0.13 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 2ju2 n GLY 34 N -1.33 0.93 3.56 0.83 0.00 -0.94 -5.15 105.19 103.09 2ju2 n GLY 34 Ca 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 2ju2 n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ju2 s HIS 35 N -0.23 -0.64 -0.62 1.61 3.76 -1.15 -5.03 115.29 112.99 2ju2 s HIS 35 Ca 0.00 1.22 0.03 0.00 -0.15 0.00 0.00 55.06 56.16 2ju2 s HIS 35 Cb 0.00 0.39 0.37 0.00 1.11 0.00 0.00 32.58 34.44 2ju2 s HIS 35 CO 0.00 -0.51 1.26 -0.25 -0.85 0.00 0.00 174.74 174.39 2ju2 n ASP 36 N 1.30 5.33 -3.69 1.40 8.00 -1.26 -2.63 116.55 124.99 2ju2 n ASP 36 Ca -0.16 -3.72 -0.30 0.00 0.71 0.00 0.00 54.79 51.32 2ju2 n ASP 36 Cb 0.57 -0.67 -0.14 0.00 -0.02 0.00 0.00 41.12 40.86 2ju2 n ASP 36 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2ju2 s ASP 37 N -2.93 3.78 0.28 -2.24 1.01 -1.26 -4.96 116.67 110.35 2ju2 s ASP 37 Ca 0.48 -1.99 0.13 0.00 0.71 0.00 0.00 52.55 51.88 2ju2 s ASP 37 Cb 0.33 -0.85 0.30 0.00 1.01 0.00 0.00 42.92 43.71 2ju2 s ASP 37 CO -0.19 -0.36 1.56 1.55 0.21 0.00 0.00 175.17 177.94 2ju2 h PRO 38 N 7.56 0.00 -1.01 8.23 0.13 -1.92 -3.18 132.00 141.82 2ju2 h PRO 38 Ca -0.08 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.37 2ju2 h PRO 38 Cb 0.98 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.97 2ju2 h PRO 38 CO 0.45 0.60 0.59 0.87 -0.23 0.00 0.00 178.00 180.28 2ju2 h LYS 39 N 0.00 0.35 -1.42 0.86 1.57 -2.01 1.44 116.57 117.36 2ju2 h LYS 39 Ca -0.01 -0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 58.29 2ju2 h LYS 39 Cb 1.21 -0.08 -0.19 0.00 0.08 0.00 0.00 32.23 33.25 2ju2 h LYS 39 CO 0.08 0.23 0.58 0.00 -0.57 0.00 0.00 179.45 179.76 2ju2 n ALA 40 N -2.31 5.65 -3.41 3.86 0.00 -1.20 -4.83 120.51 118.27 2ju2 n ALA 40 Ca 0.31 -2.40 -0.14 0.00 0.00 0.00 0.00 53.44 51.21 2ju2 n ALA 40 Cb 0.96 -1.58 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 2ju2 n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ju2 s VAL 41 N -3.15 0.00 0.48 0.00 1.01 0.49 -5.08 120.40 114.15 2ju2 s VAL 41 Ca 0.44 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2ju2 s VAL 41 Cb 0.34 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 2ju2 s VAL 41 CO -0.04 -0.01 0.15 -0.13 0.00 0.00 0.00 175.10 175.08 2ju2 s ARG 42 N 0.18 2.19 0.12 2.72 0.52 -1.26 -4.94 118.95 118.48 2ju2 s ARG 42 Ca -0.01 -2.10 0.16 0.00 -0.52 0.00 0.00 55.73 53.26 2ju2 s ARG 42 Cb -0.04 -1.82 -0.09 0.00 0.52 0.00 0.00 34.95 33.53 2ju2 s ARG 42 CO 0.01 -0.31 1.01 0.00 0.02 0.00 0.00 175.30 176.03 2ju2 h ALA 43 N 1.28 0.65 -0.96 2.13 0.00 -1.98 -3.31 119.26 117.08 2ju2 h ALA 43 Ca -0.42 -0.76 -0.57 0.00 0.00 0.00 0.00 54.91 53.16 2ju2 h ALA 43 Cb 1.28 0.17 -0.29 0.00 0.00 0.00 0.00 17.79 18.95 2ju2 h ALA 43 CO 0.70 0.87 0.67 0.25 0.00 0.00 0.00 179.25 181.74 2ju2 n THR 44 N -3.00 3.33 -3.59 0.00 -2.24 -1.26 0.14 114.28 107.66 2ju2 n THR 44 Ca -0.06 -2.44 -0.36 0.00 -2.27 0.00 0.00 64.05 58.92 2ju2 n THR 44 Cb 0.82 -0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 2ju2 n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2ju2 s THR 45 N -3.96 5.32 -0.08 4.28 2.01 -1.25 -4.89 115.64 117.07 2ju2 s THR 45 Ca 0.59 0.48 -0.30 0.00 0.31 0.00 0.00 61.69 62.77 2ju2 s THR 45 Cb 0.49 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2ju2 s THR 45 CO 0.05 0.42 1.24 -2.16 -0.69 0.00 0.00 174.62 173.48 2ju2 s PRO 46 N 0.27 4.31 0.21 4.92 0.04 -1.25 -3.38 135.00 140.12 2ju2 s PRO 46 Ca 0.15 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 2ju2 s PRO 46 Cb -0.13 -3.62 0.30 0.00 0.04 0.00 0.00 34.50 31.09 2ju2 s PRO 46 CO 0.03 -0.53 1.67 0.27 0.04 0.00 0.00 177.00 178.49 2ju2 h PHE 47 N 7.71 0.03 -0.99 0.56 -0.00 -1.84 -1.20 116.94 121.21 2ju2 h PHE 47 Ca -0.32 0.04 0.13 0.00 -0.00 0.00 0.00 57.97 57.82 2ju2 h PHE 47 Cb 1.15 0.08 -0.14 0.00 -0.00 0.00 0.00 35.95 37.03 2ju2 h PHE 47 CO 0.75 -0.13 -0.46 -0.22 -0.00 0.00 0.00 178.31 178.25 2ju2 h LYS 48 N 0.15 -0.01 -0.82 6.09 3.64 -1.87 1.12 116.57 124.87 2ju2 h LYS 48 Ca 0.32 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 2ju2 h LYS 48 Cb 0.51 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 2ju2 h LYS 48 CO -0.49 -0.00 0.52 0.93 -2.27 0.00 0.00 179.45 178.14 2ju2 h GLU 49 N -0.01 0.97 -0.78 1.90 4.39 -1.59 -0.21 114.58 119.24 2ju2 h GLU 49 Ca 0.28 -0.06 0.16 0.00 0.34 0.00 0.00 59.36 60.08 2ju2 h GLU 49 Cb 0.53 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 2ju2 h GLU 49 CO -0.97 0.64 0.52 -0.07 -1.16 0.00 0.00 179.01 177.98 2ju2 h LEU 50 N 1.00 0.37 0.00 1.33 3.38 0.18 -3.45 115.31 118.12 2ju2 h LEU 50 Ca 0.34 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2ju2 h LEU 50 Cb 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ju2 h LEU 50 CO -0.13 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2ju2 n GLY 51 N -1.53 0.64 3.11 0.83 0.00 0.30 -4.87 105.19 103.67 2ju2 n GLY 51 Ca 0.15 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 2ju2 n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ju2 s PHE 52 N -0.64 1.78 0.25 1.61 0.08 -1.18 -4.75 117.98 115.14 2ju2 s PHE 52 Ca 0.00 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.44 2ju2 s PHE 52 Cb 0.00 -1.23 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 2ju2 s PHE 52 CO 0.00 -0.26 0.00 -0.25 -0.10 0.00 0.00 175.22 174.61 2ju2 n ASP 53 N 3.47 -0.03 0.15 1.36 9.92 -1.26 -4.46 116.55 125.70 2ju2 n ASP 53 Ca -0.20 0.43 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 2ju2 n ASP 53 Cb 0.52 0.31 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 2ju2 n ASP 53 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2ju2 n SER 54 N -3.41 -1.03 0.34 -2.24 7.64 -1.26 -4.69 113.62 108.97 2ju2 n SER 54 Ca 0.00 0.52 -0.19 0.00 1.01 0.00 0.00 58.87 60.22 2ju2 n SER 54 Cb 0.00 1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 64.23 2ju2 n SER 54 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ju2 h LEU 55 N 0.00 -1.33 -1.27 -3.43 4.07 -1.97 1.50 115.31 112.88 2ju2 h LEU 55 Ca 0.00 0.10 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 2ju2 h LEU 55 Cb 0.00 0.42 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2ju2 h LEU 55 CO 0.00 -0.70 0.10 0.00 -1.08 0.00 0.00 178.44 176.76 2ju2 h ALA 56 N -1.02 1.42 -0.17 1.53 0.00 -1.92 -0.70 119.26 118.39 2ju2 h ALA 56 Ca -0.08 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2ju2 h ALA 56 Cb 0.90 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2ju2 h ALA 56 CO -0.00 0.43 -0.21 0.00 0.00 0.00 0.00 179.25 179.47 2ju2 h ALA 57 N 1.52 1.33 0.40 0.00 0.00 -1.67 -2.20 119.26 118.64 2ju2 h ALA 57 Ca 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2ju2 h ALA 57 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ju2 h ALA 57 CO -0.00 0.46 -0.19 0.28 0.00 0.00 0.00 179.25 179.79 2ju2 h VAL 58 N 0.28 0.26 -0.99 0.00 2.07 0.34 -3.01 116.25 115.20 2ju2 h VAL 58 Ca 0.05 -0.65 0.31 0.00 0.82 0.00 0.00 66.70 67.23 2ju2 h VAL 58 Cb 0.53 0.41 -0.15 0.00 -1.52 0.00 0.00 31.29 30.57 2ju2 h VAL 58 CO 0.04 0.06 0.53 -0.09 0.02 0.00 0.00 177.57 178.13 2ju2 h ARG 59 N -1.06 0.30 0.00 1.57 2.43 -1.12 -0.88 114.38 115.63 2ju2 h ARG 59 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2ju2 h ARG 59 Cb 0.51 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2ju2 h ARG 59 CO 0.09 0.20 0.00 -0.11 -1.51 0.00 0.00 179.97 178.64 2ju2 n LEU 60 N -5.07 0.00 -0.29 3.80 7.94 -0.83 -0.38 117.00 122.16 2ju2 n LEU 60 Ca 0.31 0.69 0.15 0.00 -1.11 0.00 0.00 56.01 56.05 2ju2 n LEU 60 Cb 0.95 -0.19 0.30 0.00 0.53 0.00 0.00 43.42 45.01 2ju2 n LEU 60 CO 0.09 -0.19 0.72 -1.14 -1.11 0.00 0.00 177.39 175.76 2ju2 n ARG 61 N -1.23 -0.06 0.20 1.96 0.00 -0.82 0.18 116.66 116.89 2ju2 n ARG 61 Ca 0.00 1.26 -0.16 0.00 -0.00 0.00 0.00 57.85 58.95 2ju2 n ARG 61 Cb 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 32.46 30.34 2ju2 n ARG 61 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2ju2 h ASN 62 N 0.00 -1.12 -0.39 6.15 2.35 -0.86 0.30 115.58 122.01 2ju2 h ASN 62 Ca 0.55 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 56.38 2ju2 h ASN 62 Cb 1.22 0.39 -0.02 0.00 0.05 0.00 0.00 38.32 39.96 2ju2 h ASN 62 CO -0.77 -0.53 0.14 0.25 -1.65 0.00 0.00 177.43 174.87 2ju2 h LEU 63 N -0.76 0.56 -1.19 1.61 6.46 0.39 -2.19 115.31 120.18 2ju2 h LEU 63 Ca -0.02 -0.18 0.23 0.00 -0.12 0.00 0.00 57.88 57.79 2ju2 h LEU 63 Cb 0.71 -0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 40.39 2ju2 h LEU 63 CO -0.12 0.59 0.63 -0.07 -0.62 0.00 0.00 178.44 178.85 2ju2 h LEU 64 N 0.49 0.60 -0.54 2.25 -0.00 0.24 0.27 115.31 118.62 2ju2 h LEU 64 Ca 0.13 0.09 0.11 0.00 -0.00 0.00 0.00 57.88 58.21 2ju2 h LEU 64 Cb 0.22 -0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 40.78 2ju2 h LEU 64 CO -0.01 0.16 -0.02 -1.13 -0.00 0.00 0.00 178.44 177.45 2ju2 h ASN 65 N 0.56 -0.27 0.00 -0.43 -0.73 0.26 1.33 115.58 116.31 2ju2 h ASN 65 Ca 0.58 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.89 2ju2 h ASN 65 Cb 1.20 0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.04 2ju2 h ASN 65 CO -0.35 -0.10 0.08 0.00 -0.37 0.00 0.00 177.43 176.69 2ju2 h ALA 66 N 1.49 1.07 0.00 1.57 0.00 -0.50 1.83 119.26 124.73 2ju2 h ALA 66 Ca 0.27 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 2ju2 h ALA 66 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2ju2 h ALA 66 CO -0.47 -0.07 -1.06 0.00 0.00 0.00 0.00 179.25 177.65 2ju2 h ALA 67 N 1.83 0.42 -0.99 0.00 0.00 0.19 -3.42 119.26 117.28 2ju2 h ALA 67 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2ju2 h ALA 67 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ju2 h ALA 67 CO 0.00 1.26 0.00 0.25 0.00 0.00 0.00 179.25 180.76 2ju2 n THR 68 N -3.30 0.00 0.00 0.00 -2.24 0.18 -5.04 114.28 103.88 2ju2 n THR 68 Ca -0.02 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2ju2 n THR 68 Cb 0.94 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2ju2 n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ju2 n GLY 69 N 2.98 0.31 3.65 3.38 0.00 0.57 -5.06 105.19 111.03 2ju2 n GLY 69 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2ju2 n GLY 69 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ju2 n LEU 70 N 0.00 0.00 -3.83 0.99 -0.00 -1.26 -5.02 117.00 107.88 2ju2 n LEU 70 Ca 0.00 -2.76 -0.42 0.00 -0.00 0.00 0.00 56.01 52.83 2ju2 n LEU 70 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2ju2 n LEU 70 CO 0.00 -0.57 2.18 0.54 -0.00 0.00 0.00 177.39 179.54 2ju2 n ARG 71 N -1.72 3.37 -0.92 1.47 1.74 -1.26 -4.74 116.66 114.60 2ju2 n ARG 71 Ca -0.03 -3.23 -0.35 0.00 -0.77 0.00 0.00 57.85 53.47 2ju2 n ARG 71 Cb 0.60 -3.05 0.07 0.00 -1.02 0.00 0.00 32.46 29.07 2ju2 n ARG 71 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ju2 n LEU 72 N 4.62 -3.73 -4.79 0.55 4.77 -1.26 -4.89 117.00 112.27 2ju2 n LEU 72 Ca 0.44 0.22 -0.35 0.00 -0.03 0.00 0.00 56.01 56.29 2ju2 n LEU 72 Cb 0.37 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.51 2ju2 n LEU 72 CO 0.84 -4.98 0.72 -2.16 -1.33 0.00 0.00 177.39 170.49 2ju2 s PRO 73 N -2.63 3.91 0.26 3.23 0.04 -1.26 -4.95 135.00 133.58 2ju2 s PRO 73 Ca 0.46 1.41 0.24 0.00 0.04 0.00 0.00 61.00 63.15 2ju2 s PRO 73 Cb -0.18 -2.23 0.31 0.00 0.04 0.00 0.00 34.50 32.45 2ju2 s PRO 73 CO 0.76 -0.35 1.40 0.66 0.04 0.00 0.00 177.00 179.51 2ju2 h SER 74 N 1.84 0.00 0.10 6.66 4.64 -1.97 -3.17 113.55 121.65 2ju2 h SER 74 Ca -0.49 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 2ju2 h SER 74 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2ju2 h SER 74 CO 0.60 0.03 -0.11 0.35 -0.87 0.00 0.00 176.83 176.83 2ju2 n THR 75 N -2.60 0.00 -0.14 2.95 -2.24 -1.26 -4.18 114.28 106.80 2ju2 n THR 75 Ca 0.03 -0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2ju2 n THR 75 Cb 0.50 0.44 0.02 0.00 -2.10 0.00 0.00 70.33 69.19 2ju2 n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2ju2 h LEU 76 N 1.84 -0.66 -1.59 3.22 6.46 -1.95 1.97 115.31 124.61 2ju2 h LEU 76 Ca 0.00 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2ju2 h LEU 76 Cb 0.50 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 2ju2 h LEU 76 CO 0.00 -0.22 0.36 0.58 -0.62 0.00 0.00 178.44 178.54 2ju2 h VAL 77 N -0.09 0.00 0.00 1.05 2.07 -1.83 1.95 116.25 119.40 2ju2 h VAL 77 Ca 0.22 0.00 -0.40 0.00 0.82 0.00 0.00 66.70 67.34 2ju2 h VAL 77 Cb 0.43 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 2ju2 h VAL 77 CO -0.53 0.00 -2.38 0.33 0.02 0.00 0.00 177.57 175.01 2ju2 n PHE 78 N -2.65 0.00 0.28 1.57 -0.00 0.48 -4.38 117.46 112.77 2ju2 n PHE 78 Ca -0.02 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.61 2ju2 n PHE 78 Cb 0.40 -0.90 0.76 0.00 -0.00 0.00 0.00 39.48 39.74 2ju2 n PHE 78 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 2ju2 h ASP 79 N -0.60 0.00 -3.58 -2.13 1.82 0.38 -3.39 116.42 108.92 2ju2 h ASP 79 Ca -0.60 0.00 -0.67 0.00 -0.39 0.00 0.00 57.03 55.37 2ju2 h ASP 79 Cb 1.64 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 41.48 2ju2 h ASP 79 CO -0.29 0.02 -0.11 -1.38 -1.61 0.00 0.00 179.24 175.88 2ju2 s HIS 80 N -3.78 3.15 0.16 0.28 -3.43 0.65 -4.92 115.29 107.40 2ju2 s HIS 80 Ca -0.00 -0.15 -0.01 0.00 -0.80 0.00 0.00 55.06 54.11 2ju2 s HIS 80 Cb 0.10 -2.98 0.00 0.00 -1.43 0.00 0.00 32.58 28.27 2ju2 s HIS 80 CO 0.53 -0.67 1.38 -1.00 -2.00 0.00 0.00 174.74 172.98 2ju2 h PRO 81 N 8.67 0.33 -3.81 -0.38 0.13 -1.85 -3.44 132.00 131.66 2ju2 h PRO 81 Ca -0.27 -0.32 -0.09 0.00 -0.87 0.00 0.00 66.00 64.45 2ju2 h PRO 81 Cb 1.11 0.08 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2ju2 h PRO 81 CO 0.80 0.99 -0.23 -0.80 -0.23 0.00 0.00 178.00 178.54 2ju2 s ASN 82 N -6.99 -0.04 0.10 1.44 -0.87 -1.26 -3.92 114.94 103.41 2ju2 s ASN 82 Ca -0.05 -0.94 -0.29 0.00 -1.57 0.00 0.00 52.86 50.02 2ju2 s ASN 82 Cb 0.10 0.52 -0.11 0.00 -0.02 0.00 0.00 41.25 41.74 2ju2 s ASN 82 CO 0.84 -1.03 1.62 0.00 -2.57 0.00 0.00 177.10 175.97 2ju2 h ALA 83 N 2.38 -0.61 -0.86 0.60 0.00 -1.10 -0.94 119.26 118.73 2ju2 h ALA 83 Ca -0.29 -0.08 0.35 0.00 0.00 0.00 0.00 54.91 54.89 2ju2 h ALA 83 Cb 1.24 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 19.36 2ju2 h ALA 83 CO 0.41 -0.89 0.47 0.45 0.00 0.00 0.00 179.25 179.70 2ju2 n SER 84 N -5.42 0.28 0.02 0.00 2.88 0.37 0.19 113.62 111.94 2ju2 n SER 84 Ca -0.08 1.36 -0.12 0.00 -1.33 0.00 0.00 58.87 58.70 2ju2 n SER 84 Cb 0.33 -0.67 -0.09 0.00 -0.75 0.00 0.00 64.21 63.03 2ju2 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ju2 h ALA 85 N 1.64 -0.12 -0.98 -1.46 0.00 -1.46 -3.22 119.26 113.66 2ju2 h ALA 85 Ca 0.71 -0.27 0.25 0.00 0.00 0.00 0.00 54.91 55.60 2ju2 h ALA 85 Cb 1.91 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.56 2ju2 h ALA 85 CO -0.62 -0.25 -0.07 0.28 0.00 0.00 0.00 179.25 178.59 2ju2 n VAL 86 N -4.87 -0.41 -0.06 0.00 0.31 0.50 0.11 118.33 113.92 2ju2 n VAL 86 Ca -0.08 2.19 -0.10 0.00 -0.01 0.00 0.00 64.34 66.34 2ju2 n VAL 86 Cb 0.29 -3.15 -0.04 0.00 -0.91 0.00 0.00 33.84 30.03 2ju2 n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ju2 h ALA 87 N 1.97 -0.37 0.03 3.52 0.00 -1.18 -0.60 119.26 122.63 2ju2 h ALA 87 Ca 0.56 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.52 2ju2 h ALA 87 Cb 1.06 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2ju2 h ALA 87 CO -0.95 -0.81 -0.28 0.78 0.00 0.00 0.00 179.25 177.98 2ju2 h GLY 88 N -0.36 -1.23 -0.91 0.00 0.00 0.76 0.52 103.07 101.85 2ju2 h GLY 88 Ca 0.12 0.61 0.35 0.00 0.00 0.00 0.00 47.33 48.41 2ju2 h GLY 88 CO -0.45 -0.37 0.34 -2.75 0.00 0.00 0.00 176.54 173.31 2ju2 h PHE 89 N -0.37 0.49 -0.20 5.60 3.04 -0.96 1.41 116.94 125.95 2ju2 h PHE 89 Ca 0.00 0.05 -0.07 0.00 3.98 0.00 0.00 57.97 61.93 2ju2 h PHE 89 Cb 0.39 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.85 2ju2 h PHE 89 CO -0.42 -0.42 -0.16 -0.07 -2.02 0.00 0.00 178.31 175.22 2ju2 h LEU 90 N 0.04 0.49 -0.22 0.59 4.07 0.04 0.38 115.31 120.70 2ju2 h LEU 90 Ca 0.73 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 58.23 2ju2 h LEU 90 Cb 1.76 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 43.36 2ju2 h LEU 90 CO -0.80 0.84 0.14 -0.78 -1.08 0.00 0.00 178.44 176.76 2ju2 h ASP 91 N 0.14 0.25 -0.50 -0.43 3.58 0.64 0.44 116.42 120.54 2ju2 h ASP 91 Ca 0.04 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2ju2 h ASP 91 Cb 0.69 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 2ju2 h ASP 91 CO 0.04 0.20 0.25 0.00 -2.88 0.00 0.00 179.24 176.86 2ju2 h ALA 92 N 1.06 1.45 0.00 -0.78 0.00 0.14 0.71 119.26 121.84 2ju2 h ALA 92 Ca 0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2ju2 h ALA 92 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2ju2 h ALA 92 CO -0.02 0.44 -0.42 0.93 0.00 0.00 0.00 179.25 180.18 2ju2 h GLU 93 N 0.74 0.00 0.00 0.00 4.39 -0.01 -2.82 114.58 116.88 2ju2 h GLU 93 Ca 0.19 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.75 2ju2 h GLU 93 Cb 0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2ju2 h GLU 93 CO -0.02 0.42 -1.06 -0.07 -1.16 0.00 0.00 179.01 177.11 2ju2 h LEU 94 N 0.00 0.00 0.00 1.33 3.38 0.15 -3.50 115.31 116.67 2ju2 h LEU 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ju2 h LEU 94 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2ju2 h LEU 94 CO 0.05 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.72