#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 n SER 2 N 0.00 -7.79 -1.30 1.61 7.64 -1.26 -4.78 113.62 107.74 1x66 n SER 2 Ca 0.00 -0.08 0.13 0.00 1.01 0.00 0.00 58.87 59.93 1x66 n SER 2 Cb 0.00 -5.31 -0.03 0.00 -1.01 0.00 0.00 64.21 57.86 1x66 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x66 n SER 3 N -1.79 -7.74 -1.42 6.43 7.64 -1.26 -4.89 113.62 110.60 1x66 n SER 3 Ca -0.00 1.03 -0.13 0.00 1.01 0.00 0.00 58.87 60.77 1x66 n SER 3 Cb 0.50 -2.90 -0.02 0.00 -1.01 0.00 0.00 64.21 60.78 1x66 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x66 n GLY 4 N -2.81 0.20 3.65 0.23 0.00 -1.26 -4.98 105.19 100.22 1x66 n GLY 4 Ca 0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1x66 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x66 s SER 5 N -2.50 6.39 -0.38 1.61 0.01 -1.26 -4.97 113.70 112.59 1x66 s SER 5 Ca 0.00 0.46 0.12 0.00 1.31 0.00 0.00 55.95 57.84 1x66 s SER 5 Cb 0.00 -2.23 0.43 0.00 0.21 0.00 0.00 66.02 64.43 1x66 s SER 5 CO 0.00 -0.11 0.98 -0.24 0.41 0.00 0.00 173.24 174.28 1x66 n SER 6 N 4.73 2.64 -3.59 2.44 2.88 -1.26 -5.11 113.62 116.36 1x66 n SER 6 Ca -0.08 -3.13 -0.28 0.00 -1.33 0.00 0.00 58.87 54.05 1x66 n SER 6 Cb 0.51 -0.52 0.26 0.00 -0.75 0.00 0.00 64.21 63.71 1x66 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x66 n GLY 7 N -0.18 -3.27 3.69 0.46 0.00 -1.26 -4.99 105.19 99.64 1x66 n GLY 7 Ca 0.22 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1x66 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 8 N -4.57 0.74 -0.49 1.61 0.04 -1.26 -4.93 135.00 126.14 1x66 s PRO 8 Ca 0.61 0.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.02 1x66 s PRO 8 Cb -0.14 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1x66 s PRO 8 CO 0.55 -2.55 1.79 -1.25 0.04 0.00 0.00 177.00 175.58 1x66 s PRO 9 N -4.95 2.97 0.84 0.56 0.04 -1.26 -4.98 135.00 128.22 1x66 s PRO 9 Ca 0.65 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 1x66 s PRO 9 Cb -0.18 -4.29 0.10 0.00 0.04 0.00 0.00 34.50 30.17 1x66 s PRO 9 CO 0.57 -2.31 1.16 -0.80 0.04 0.00 0.00 177.00 175.66 1x66 s ASN 10 N 6.98 3.49 0.87 6.66 0.01 -1.26 -4.97 114.94 126.72 1x66 s ASN 10 Ca 0.71 2.19 -0.10 0.00 -0.71 0.00 0.00 52.86 54.95 1x66 s ASN 10 Cb -0.16 -2.57 0.12 0.00 0.41 0.00 0.00 41.25 39.05 1x66 s ASN 10 CO 0.26 -2.73 1.13 0.00 -1.51 0.00 0.00 177.10 174.25 1x66 s MET 11 N -4.47 1.39 0.36 -0.60 0.23 -1.26 -4.98 119.30 109.97 1x66 s MET 11 Ca 0.68 1.40 -0.25 0.00 -1.03 0.00 0.00 55.69 56.50 1x66 s MET 11 Cb -0.24 -1.78 -0.10 0.00 -1.53 0.00 0.00 34.83 31.18 1x66 s MET 11 CO 0.54 -2.33 0.99 -0.08 -2.03 0.00 0.00 175.02 172.12 1x66 s THR 12 N -2.73 4.01 -0.08 3.16 -1.32 -1.26 -4.99 115.64 112.42 1x66 s THR 12 Ca 0.65 1.58 -0.32 0.00 -1.21 0.00 0.00 61.69 62.39 1x66 s THR 12 Cb -0.21 -3.84 0.12 0.00 -1.51 0.00 0.00 72.50 67.07 1x66 s THR 12 CO 0.57 0.05 1.21 0.28 -2.21 0.00 0.00 174.62 174.53 1x66 s THR 13 N -1.67 0.00 0.06 5.08 -1.32 -1.26 -4.95 115.64 111.58 1x66 s THR 13 Ca 0.54 -0.15 -0.36 0.00 -1.21 0.00 0.00 61.69 60.51 1x66 s THR 13 Cb -0.20 -1.51 -0.20 0.00 -1.51 0.00 0.00 72.50 69.08 1x66 s THR 13 CO 0.25 0.00 1.52 -1.13 -2.21 0.00 0.00 174.62 173.05 1x66 h ASN 14 N 2.00 -1.07 0.00 8.08 -1.24 -1.96 -3.44 115.58 117.95 1x66 h ASN 14 Ca -0.20 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1x66 h ASN 14 Cb 1.19 0.28 0.00 0.00 0.73 0.00 0.00 38.32 40.52 1x66 h ASN 14 CO 0.26 -0.75 0.00 -0.62 -1.29 0.00 0.00 177.43 175.03 1x66 n GLU 15 N -5.62 0.00 -2.70 6.67 -0.58 -1.26 -5.06 120.64 112.08 1x66 n GLU 15 Ca -0.16 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.55 1x66 n GLU 15 Cb 0.50 -0.12 0.03 0.00 -0.57 0.00 0.00 31.44 31.27 1x66 n GLU 15 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1x66 s ARG 16 N -0.83 0.41 0.09 3.49 6.06 -1.26 -5.17 118.95 121.75 1x66 s ARG 16 Ca 0.00 -0.40 -0.27 0.00 -2.50 0.00 0.00 55.73 52.56 1x66 s ARG 16 Cb 0.00 -0.02 0.08 0.00 0.06 0.00 0.00 34.95 35.07 1x66 s ARG 16 CO 0.00 -0.51 1.03 -0.98 -2.50 0.00 0.00 175.30 172.33 1x66 s ARG 17 N 0.99 0.96 0.09 5.12 3.03 -1.26 -5.16 118.95 122.72 1x66 s ARG 17 Ca 0.25 -0.51 0.03 0.00 2.03 0.00 0.00 55.73 57.52 1x66 s ARG 17 Cb 0.09 0.34 -0.04 0.00 -1.03 0.00 0.00 34.95 34.32 1x66 s ARG 17 CO -0.09 -0.44 0.12 0.08 -1.13 0.00 0.00 175.30 173.84 1x66 s VAL 18 N -3.06 4.73 -0.55 4.99 1.01 -1.26 -4.73 120.40 121.53 1x66 s VAL 18 Ca 0.12 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1x66 s VAL 18 Cb -0.00 -3.30 0.14 0.00 0.00 0.00 0.00 36.38 33.22 1x66 s VAL 18 CO -0.00 0.10 0.32 -0.63 0.00 0.00 0.00 175.10 174.88 1x66 s ILE 19 N -1.46 2.43 0.08 2.22 1.01 -1.26 -5.08 121.20 119.14 1x66 s ILE 19 Ca 0.31 -3.44 0.03 0.00 0.00 0.00 0.00 60.65 57.54 1x66 s ILE 19 Cb -0.12 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1x66 s ILE 19 CO 0.24 -0.88 -0.09 0.68 0.00 0.00 0.00 174.94 174.89 1x66 s VAL 20 N -0.49 0.80 0.76 2.92 -7.23 -1.26 -5.10 120.40 110.79 1x66 s VAL 20 Ca 0.20 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 1x66 s VAL 20 Cb -0.19 -1.24 0.05 0.00 0.56 0.00 0.00 36.38 35.56 1x66 s VAL 20 CO -0.05 -0.57 1.09 -2.16 -0.31 0.00 0.00 175.10 173.10 1x66 s PRO 21 N -2.69 2.31 0.04 4.82 0.04 -1.26 -4.99 135.00 133.27 1x66 s PRO 21 Ca 0.03 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 1x66 s PRO 21 Cb -0.03 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1x66 s PRO 21 CO -0.01 -1.61 1.30 0.00 0.04 0.00 0.00 177.00 176.72 1x66 h ALA 22 N -1.01 -1.07 -2.35 8.56 0.00 -1.92 -3.41 119.26 118.06 1x66 h ALA 22 Ca -0.44 -0.13 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 1x66 h ALA 22 Cb 1.23 0.41 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1x66 h ALA 22 CO 0.52 -1.06 1.11 0.34 0.00 0.00 0.00 179.25 180.16 1x66 s ASP 23 N -3.23 6.57 0.54 0.00 -1.08 -1.19 -4.66 116.67 113.62 1x66 s ASP 23 Ca -0.10 2.46 0.33 0.00 -0.52 0.00 0.00 52.55 54.71 1x66 s ASP 23 Cb 0.02 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.29 1x66 s ASP 23 CO 0.32 -0.96 1.98 1.55 0.52 0.00 0.00 175.17 178.58 1x66 h PRO 24 N 9.54 0.00 0.00 4.34 0.13 -1.80 -2.72 132.00 141.49 1x66 h PRO 24 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x66 h PRO 24 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x66 h PRO 24 CO 0.94 0.04 0.00 1.79 -0.23 0.00 0.00 178.00 180.54 1x66 h THR 25 N 0.00 0.00 -0.01 1.56 1.35 -1.90 -1.89 112.91 112.02 1x66 h THR 25 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1x66 h THR 25 Cb 0.52 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1x66 h THR 25 CO 0.00 0.00 -0.25 0.18 -0.25 0.00 0.00 175.52 175.20 1x66 n LEU 26 N -2.92 0.98 -4.73 3.87 4.77 -1.02 -3.77 117.00 114.18 1x66 n LEU 26 Ca 0.00 -0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 1x66 n LEU 26 Cb 0.26 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1x66 n LEU 26 CO 0.25 0.18 1.19 0.26 -1.33 0.00 0.00 177.39 177.94 1x66 s TRP 27 N -2.51 3.05 0.76 -1.77 0.51 -0.71 -4.92 118.94 113.35 1x66 s TRP 27 Ca 0.24 0.75 -0.12 0.00 -2.12 0.00 0.00 56.10 54.85 1x66 s TRP 27 Cb 0.19 -3.89 0.17 0.00 -0.81 0.00 0.00 33.47 29.13 1x66 s TRP 27 CO 0.52 -3.18 1.04 0.25 -0.51 0.00 0.00 176.95 175.06 1x66 n THR 28 N 3.49 0.00 0.28 2.01 -2.24 -1.26 -0.07 114.28 116.49 1x66 n THR 28 Ca 0.12 -0.81 0.17 0.00 -2.27 0.00 0.00 64.05 61.26 1x66 n THR 28 Cb 0.39 -1.57 0.85 0.00 -2.10 0.00 0.00 70.33 67.90 1x66 n THR 28 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1x66 h GLN 29 N 0.00 0.00 0.04 -0.78 4.15 -1.93 -2.59 115.11 113.99 1x66 h GLN 29 Ca -0.34 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.71 1x66 h GLN 29 Cb 0.94 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.58 1x66 h GLN 29 CO 0.24 0.00 -2.15 -1.91 -1.93 0.00 0.00 178.83 173.08 1x66 n GLU 30 N -2.69 0.66 -0.06 1.69 2.13 -1.26 -4.27 120.64 116.83 1x66 n GLU 30 Ca -0.01 0.28 -0.07 0.00 0.66 0.00 0.00 57.16 58.01 1x66 n GLU 30 Cb 0.11 -1.61 -0.01 0.00 0.27 0.00 0.00 31.44 30.20 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x66 h HIS 31 N -0.34 -0.38 -0.92 4.31 3.86 -1.82 0.73 115.15 120.60 1x66 h HIS 31 Ca -0.52 0.03 0.26 0.00 -1.16 0.00 0.00 60.37 58.98 1x66 h HIS 31 Cb 1.79 0.21 -0.04 0.00 1.06 0.00 0.00 27.41 30.42 1x66 h HIS 31 CO 0.03 -0.23 0.65 0.28 0.86 0.00 0.00 177.93 179.52 1x66 h VAL 32 N -0.12 0.56 0.17 2.45 2.07 -1.69 0.10 116.25 119.79 1x66 h VAL 32 Ca 0.15 -0.03 -0.22 0.00 0.82 0.00 0.00 66.70 67.42 1x66 h VAL 32 Cb 0.34 0.48 0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1x66 h VAL 32 CO -0.35 0.01 -0.98 0.03 0.02 0.00 0.00 177.57 176.30 1x66 h ARG 33 N 0.08 0.35 0.29 1.57 3.08 -1.12 -3.07 114.38 115.56 1x66 h ARG 33 Ca 0.45 -0.61 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1x66 h ARG 33 Cb 1.65 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.93 1x66 h ARG 33 CO -0.04 1.29 -0.14 1.96 -1.07 0.00 0.00 179.97 181.97 1x66 h GLN 34 N -0.25 -0.38 -0.62 0.04 1.08 0.70 -2.27 115.11 113.42 1x66 h GLN 34 Ca -0.17 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.15 1x66 h GLN 34 Cb 1.77 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 29.25 1x66 h GLN 34 CO 0.18 -0.20 0.41 2.35 -0.95 0.00 0.00 178.83 180.62 1x66 h TRP 35 N -0.47 0.46 0.84 2.96 7.01 -1.04 -1.64 115.95 124.06 1x66 h TRP 35 Ca -0.04 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 1x66 h TRP 35 Cb 0.36 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 27.27 1x66 h TRP 35 CO -0.04 0.22 -0.40 1.25 -2.79 0.00 0.00 178.44 176.68 1x66 h LEU 36 N 0.44 -0.95 -2.25 0.65 5.85 -1.37 -1.52 115.31 116.15 1x66 h LEU 36 Ca 0.28 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1x66 h LEU 36 Cb 0.53 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1x66 h LEU 36 CO -0.08 -0.61 0.21 -0.33 -0.34 0.00 0.00 178.44 177.29 1x66 h GLU 37 N -1.28 0.00 0.34 1.25 5.08 -1.11 -2.29 114.58 116.57 1x66 h GLU 37 Ca -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1x66 h GLU 37 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1x66 h GLU 37 CO 0.19 0.00 -0.16 2.35 -1.00 0.00 0.00 179.01 180.39 1x66 h TRP 38 N 0.00 -0.42 -0.86 4.33 7.01 -1.02 -2.47 115.95 122.52 1x66 h TRP 38 Ca 0.08 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.32 1x66 h TRP 38 Cb 0.49 0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.66 1x66 h TRP 38 CO 0.00 -0.26 0.63 0.00 -2.79 0.00 0.00 178.44 176.01 1x66 h ALA 39 N -1.34 2.80 -0.06 2.65 0.00 -0.96 0.32 119.26 122.67 1x66 h ALA 39 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1x66 h ALA 39 Cb 0.35 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x66 h ALA 39 CO 0.08 -1.07 -0.08 0.82 0.00 0.00 0.00 179.25 178.99 1x66 h ILE 40 N 0.00 1.40 0.00 0.00 2.04 -1.44 0.24 117.51 119.75 1x66 h ILE 40 Ca 0.41 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1x66 h ILE 40 Cb 1.66 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1x66 h ILE 40 CO -0.00 0.36 0.00 0.07 0.00 0.00 0.00 178.15 178.58 1x66 h LYS 41 N -0.31 0.00 0.00 2.37 2.10 -0.58 0.35 116.57 120.50 1x66 h LYS 41 Ca 0.01 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1x66 h LYS 41 Cb 0.63 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 1x66 h LYS 41 CO 0.02 0.00 -0.59 1.49 -2.00 0.00 0.00 179.45 178.36 1x66 h GLU 42 N 0.00 0.00 -0.29 0.07 4.57 -0.39 -3.36 114.58 115.18 1x66 h GLU 42 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1x66 h GLU 42 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1x66 h GLU 42 CO 0.00 0.56 0.00 0.66 -1.18 0.00 0.00 179.01 179.05 1x66 n TYR 43 N -4.58 0.38 -3.78 0.92 4.01 0.85 -4.92 117.16 110.05 1x66 n TYR 43 Ca -0.16 -0.19 -0.24 0.00 -0.16 0.00 0.00 57.90 57.16 1x66 n TYR 43 Cb 0.42 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.46 1x66 n TYR 43 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x66 n SER 44 N 0.41 -1.35 -4.83 7.72 7.64 0.61 -4.94 113.62 118.89 1x66 n SER 44 Ca 0.12 -0.90 -0.33 0.00 1.01 0.00 0.00 58.87 58.77 1x66 n SER 44 Cb 0.29 -3.66 -0.07 0.00 -1.01 0.00 0.00 64.21 59.76 1x66 n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x66 s LEU 45 N -6.73 3.92 0.18 -3.43 1.43 0.89 -5.00 118.68 109.94 1x66 s LEU 45 Ca 0.05 1.63 -0.04 0.00 -1.03 0.00 0.00 54.13 54.75 1x66 s LEU 45 Cb -0.02 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1x66 s LEU 45 CO 0.84 -0.37 0.19 -0.04 0.23 0.00 0.00 176.35 177.20 1x66 s MET 46 N -3.26 1.17 -1.65 1.70 -1.94 -1.26 -4.82 119.30 109.24 1x66 s MET 46 Ca 0.61 -1.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1x66 s MET 46 Cb -0.09 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.06 1x66 s MET 46 CO 0.16 -0.40 0.00 0.39 -0.01 0.00 0.00 175.02 175.16 1x66 n GLU 47 N -0.23 -1.32 -3.91 2.03 1.02 -1.26 -4.65 120.64 112.33 1x66 n GLU 47 Ca -0.02 0.96 -0.36 0.00 -0.02 0.00 0.00 57.16 57.72 1x66 n GLU 47 Cb 0.64 -5.34 -0.07 0.00 -0.02 0.00 0.00 31.44 26.65 1x66 n GLU 47 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1x66 s ILE 48 N -2.78 5.29 -0.93 -3.67 2.07 -1.26 -3.86 121.20 116.05 1x66 s ILE 48 Ca 0.00 0.13 -0.14 0.00 -1.41 0.00 0.00 60.65 59.23 1x66 s ILE 48 Cb 0.00 -3.33 0.20 0.00 0.13 0.00 0.00 42.46 39.46 1x66 s ILE 48 CO 0.00 0.56 0.97 -0.62 -1.91 0.00 0.00 174.94 173.94 1x66 s ASP 49 N -0.52 6.85 0.58 4.50 2.15 0.86 -4.86 116.67 126.23 1x66 s ASP 49 Ca 0.12 -2.71 0.32 0.00 0.43 0.00 0.00 52.55 50.70 1x66 s ASP 49 Cb -0.12 -2.27 1.77 0.00 -0.30 0.00 0.00 42.92 42.00 1x66 s ASP 49 CO 0.02 -0.66 2.20 0.71 -0.17 0.00 0.00 175.17 177.26 1x66 h THR 50 N 4.84 0.43 -0.54 1.71 1.35 -1.97 -2.04 112.91 116.70 1x66 h THR 50 Ca 0.15 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1x66 h THR 50 Cb 0.99 1.15 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 1x66 h THR 50 CO 0.92 0.04 0.24 0.77 -0.25 0.00 0.00 175.52 177.25 1x66 h SER 51 N 0.00 0.68 -0.38 5.36 4.64 -1.97 -1.74 113.55 120.15 1x66 h SER 51 Ca -0.00 -0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.36 1x66 h SER 51 Cb 0.15 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1x66 h SER 51 CO 0.01 0.60 0.35 0.15 -0.87 0.00 0.00 176.83 177.06 1x66 h PHE 52 N 0.76 0.00 -0.37 4.77 3.04 -1.76 0.24 116.94 123.62 1x66 h PHE 52 Ca 0.19 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.01 1x66 h PHE 52 Cb 0.11 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.54 1x66 h PHE 52 CO 0.01 0.00 0.02 1.19 -2.02 0.00 0.00 178.31 177.50 1x66 n PHE 53 N -3.96 1.20 0.28 0.41 3.01 -0.66 -4.60 117.46 113.13 1x66 n PHE 53 Ca 0.06 -1.29 0.16 0.00 1.01 0.00 0.00 57.45 57.39 1x66 n PHE 53 Cb 0.52 -0.45 0.78 0.00 -0.01 0.00 0.00 39.48 40.32 1x66 n PHE 53 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1x66 h GLN 54 N 1.40 0.00 -0.15 -1.08 -0.00 -0.37 -3.19 115.11 111.72 1x66 h GLN 54 Ca 0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.61 1x66 h GLN 54 Cb 1.67 0.00 -0.35 0.00 -0.00 0.00 0.00 27.48 28.80 1x66 h GLN 54 CO 0.38 0.08 -0.95 0.27 -0.00 0.00 0.00 178.83 178.60 1x66 n ASN 55 N -3.35 0.86 -4.33 0.06 6.94 -1.26 -4.94 115.26 109.23 1x66 n ASN 55 Ca -0.01 -2.02 -0.46 0.00 -0.02 0.00 0.00 54.58 52.07 1x66 n ASN 55 Cb 0.25 -0.25 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1x66 s MET 56 N -1.31 3.00 0.66 -3.83 1.75 -1.20 -5.02 119.30 113.34 1x66 s MET 56 Ca 0.27 -1.60 -0.18 0.00 -1.25 0.00 0.00 55.69 52.93 1x66 s MET 56 Cb 0.33 -4.27 -0.01 0.00 2.84 0.00 0.00 34.83 33.73 1x66 s MET 56 CO -0.11 -1.29 1.25 -0.40 -0.65 0.00 0.00 175.02 173.82 1x66 n ASP 57 N 5.35 1.88 -0.33 1.11 5.68 -1.26 -4.64 116.55 124.34 1x66 n ASP 57 Ca -0.13 0.81 0.24 0.00 -0.50 0.00 0.00 54.79 55.21 1x66 n ASP 57 Cb 0.41 -1.54 0.47 0.00 -1.14 0.00 0.00 41.12 39.32 1x66 n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1x66 h GLY 58 N 0.43 1.99 0.86 6.12 0.00 -0.59 0.36 103.07 112.24 1x66 h GLY 58 Ca -0.50 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 46.69 1x66 h GLY 58 CO 0.52 -0.57 0.13 0.50 0.00 0.00 0.00 176.54 177.11 1x66 h LYS 59 N 0.19 0.26 0.00 4.80 1.79 -1.75 -0.51 116.57 121.35 1x66 h LYS 59 Ca 0.74 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.19 1x66 h LYS 59 Cb 1.74 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.34 1x66 h LYS 59 CO -0.68 0.17 0.00 0.39 -1.08 0.00 0.00 179.45 178.25 1x66 n GLU 60 N -4.98 0.05 -0.00 3.15 1.02 0.11 -2.61 120.64 117.38 1x66 n GLU 60 Ca -0.01 0.22 -0.09 0.00 -0.02 0.00 0.00 57.16 57.26 1x66 n GLU 60 Cb 0.07 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 29.78 1x66 n GLU 60 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1x66 h LEU 61 N 0.00 0.02 0.00 -4.62 5.85 0.36 -3.19 115.31 113.73 1x66 h LEU 61 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1x66 h LEU 61 Cb 0.36 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1x66 h LEU 61 CO 0.00 1.03 -0.38 0.00 -0.34 0.00 0.00 178.44 178.74 1x66 h LYS 63 N 0.00 0.00 -6.81 0.00 2.10 -1.61 -3.47 116.57 106.78 1x66 h LYS 63 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 1x66 h LYS 63 Cb 0.87 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 32.34 1x66 h LYS 63 CO 0.00 0.37 0.32 -1.33 -2.00 0.00 0.00 179.45 176.81 1x66 n MET 64 N -2.99 1.47 -4.36 0.07 2.81 -1.20 -5.02 117.12 107.90 1x66 n MET 64 Ca -0.07 0.53 -0.30 0.00 -1.81 0.00 0.00 57.70 56.06 1x66 n MET 64 Cb 0.82 -2.26 -0.04 0.00 -0.71 0.00 0.00 33.22 31.03 1x66 n MET 64 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1x66 s ASN 65 N -0.83 4.38 0.28 7.83 0.01 -1.26 -4.94 114.94 120.41 1x66 s ASN 65 Ca 0.67 -1.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.34 1x66 s ASN 65 Cb -0.48 0.59 0.62 0.00 0.41 0.00 0.00 41.25 42.39 1x66 s ASN 65 CO 0.53 -1.03 1.77 0.50 -1.51 0.00 0.00 177.10 177.37 1x66 h LYS 66 N 1.01 0.68 0.72 -0.60 1.63 -1.95 0.16 116.57 118.22 1x66 h LYS 66 Ca -0.40 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.32 1x66 h LYS 66 Cb 1.32 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 32.80 1x66 h LYS 66 CO 0.65 0.45 -0.35 0.93 -3.45 0.00 0.00 179.45 177.69 1x66 h GLU 67 N 0.70 -0.93 -0.77 1.90 5.08 -1.98 0.19 114.58 118.78 1x66 h GLU 67 Ca 0.52 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 59.13 1x66 h GLU 67 Cb 0.76 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1x66 h GLU 67 CO -0.37 -0.62 0.53 -0.44 -1.00 0.00 0.00 179.01 177.12 1x66 h ASP 68 N -1.25 0.19 0.92 1.42 3.32 -1.85 0.20 116.42 119.37 1x66 h ASP 68 Ca -0.10 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 1x66 h ASP 68 Cb 0.75 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1x66 h ASP 68 CO 0.16 0.09 -1.04 -0.26 -1.72 0.00 0.00 179.24 176.47 1x66 h PHE 69 N 0.20 0.10 0.00 4.55 0.04 -0.57 -3.20 116.94 118.05 1x66 h PHE 69 Ca 0.38 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1x66 h PHE 69 Cb 1.20 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1x66 h PHE 69 CO -0.00 1.05 0.00 -0.07 -0.60 0.00 0.00 178.31 178.69 1x66 h LEU 70 N 0.02 0.00 -0.43 1.54 3.38 0.25 0.25 115.31 120.32 1x66 h LEU 70 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x66 h LEU 70 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1x66 h LEU 70 CO 0.14 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.21 1x66 n ARG 71 N -3.05 1.29 0.00 1.13 1.74 -0.80 -4.05 116.66 112.92 1x66 n ARG 71 Ca 0.01 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 1x66 n ARG 71 Cb 0.29 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1x66 n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x66 n ALA 72 N -0.39 1.94 -2.43 7.54 0.00 -0.80 -5.03 120.51 121.34 1x66 n ALA 72 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.40 1x66 n ALA 72 Cb 0.18 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 1x66 n ALA 72 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x66 s THR 73 N -1.39 1.76 0.99 0.00 -1.32 0.83 -0.10 115.64 116.42 1x66 s THR 73 Ca 0.00 -1.98 -0.11 0.00 -1.21 0.00 0.00 61.69 58.39 1x66 s THR 73 Cb 0.00 -1.87 0.19 0.00 -1.51 0.00 0.00 72.50 69.31 1x66 s THR 73 CO 0.00 -0.39 1.09 0.28 -2.21 0.00 0.00 174.62 173.39 1x66 s THR 74 N -2.28 2.21 0.12 5.08 -1.32 -1.25 -4.05 115.64 114.15 1x66 s THR 74 Ca 0.17 0.07 -0.23 0.00 -1.21 0.00 0.00 61.69 60.48 1x66 s THR 74 Cb -0.04 -2.20 -0.06 0.00 -1.51 0.00 0.00 72.50 68.69 1x66 s THR 74 CO 0.06 -0.09 1.67 0.25 -2.21 0.00 0.00 174.62 174.31 1x66 h LEU 75 N -2.05 -0.43 -0.43 9.08 5.85 -1.94 0.19 115.31 125.57 1x66 h LEU 75 Ca -0.51 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.37 1x66 h LEU 75 Cb 1.29 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.42 1x66 h LEU 75 CO 0.47 -0.20 -0.22 0.22 -0.34 0.00 0.00 178.44 178.37 1x66 h TYR 76 N -0.22 -0.56 -0.28 1.25 5.03 -1.99 0.55 116.97 120.75 1x66 h TYR 76 Ca 0.06 0.05 -0.07 0.00 2.58 0.00 0.00 58.73 61.35 1x66 h TYR 76 Cb 0.31 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.88 1x66 h TYR 76 CO -0.22 -0.30 -0.12 -0.91 -1.32 0.00 0.00 178.16 175.29 1x66 h ASN 77 N -0.13 0.44 0.04 -2.11 2.35 -1.83 -2.40 115.58 111.94 1x66 h ASN 77 Ca 0.21 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1x66 h ASN 77 Cb 0.45 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1x66 h ASN 77 CO -0.51 0.60 -0.06 0.74 -1.65 0.00 0.00 177.43 176.55 1x66 h THR 78 N 0.43 1.06 0.04 2.81 2.02 0.15 -0.80 112.91 118.62 1x66 h THR 78 Ca 0.08 -0.28 -0.24 0.00 0.77 0.00 0.00 66.41 66.74 1x66 h THR 78 Cb 0.47 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1x66 h THR 78 CO 0.03 0.08 -1.02 -0.33 0.37 0.00 0.00 175.52 174.65 1x66 h GLU 79 N 0.04 0.38 0.21 6.66 4.39 -0.73 -2.78 114.58 122.74 1x66 h GLU 79 Ca 0.01 -0.45 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1x66 h GLU 79 Cb 0.13 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1x66 h GLU 79 CO 0.01 1.14 -0.10 0.28 -1.16 0.00 0.00 179.01 179.17 1x66 h VAL 80 N 0.19 0.82 0.13 3.13 2.07 -1.20 -1.90 116.25 119.49 1x66 h VAL 80 Ca -0.10 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1x66 h VAL 80 Cb 1.68 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 1x66 h VAL 80 CO 0.17 0.18 -0.28 -0.07 0.02 0.00 0.00 177.57 177.59 1x66 h LEU 81 N -0.80 -0.81 -0.50 2.57 3.38 -1.30 0.26 115.31 118.12 1x66 h LEU 81 Ca -0.03 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1x66 h LEU 81 Cb 0.51 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1x66 h LEU 81 CO 0.05 -0.37 0.15 -0.07 0.09 0.00 0.00 178.44 178.28 1x66 h LEU 82 N -0.50 0.11 -0.46 1.67 -0.00 -1.60 0.18 115.31 114.70 1x66 h LEU 82 Ca 0.03 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1x66 h LEU 82 Cb 0.53 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1x66 h LEU 82 CO -0.16 0.09 0.26 -1.28 -0.00 0.00 0.00 178.44 177.34 1x66 h SER 83 N 0.30 0.58 0.74 -0.43 0.87 -0.90 0.20 113.55 114.91 1x66 h SER 83 Ca 0.24 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1x66 h SER 83 Cb 0.29 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1x66 h SER 83 CO -0.28 0.50 -0.36 -0.74 -0.53 0.00 0.00 176.83 175.43 1x66 h HIS 84 N 0.61 -0.92 -0.23 2.24 -0.00 0.22 -2.76 115.15 114.32 1x66 h HIS 84 Ca 0.16 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.58 1x66 h HIS 84 Cb 0.05 0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1x66 h HIS 84 CO -0.02 -0.55 0.21 1.25 -0.00 0.00 0.00 177.93 178.81 1x66 h LEU 85 N -1.12 0.00 -0.62 0.26 5.85 -0.65 -1.66 115.31 117.36 1x66 h LEU 85 Ca -0.10 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1x66 h LEU 85 Cb 0.78 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1x66 h LEU 85 CO 0.17 0.00 0.29 -1.28 -0.34 0.00 0.00 178.44 177.28 1x66 h SER 86 N 0.00 0.38 0.14 1.25 0.87 -0.64 0.24 113.55 115.78 1x66 h SER 86 Ca 0.11 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1x66 h SER 86 Cb 0.52 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1x66 h SER 86 CO -0.00 0.24 -0.07 0.22 -0.53 0.00 0.00 176.83 176.69 1x66 h TYR 87 N 0.53 -0.17 -0.89 2.24 3.20 -1.30 -3.00 116.97 117.58 1x66 h TYR 87 Ca 0.30 -0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.38 1x66 h TYR 87 Cb 0.28 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 1x66 h TYR 87 CO -0.12 0.28 0.60 -0.07 -1.64 0.00 0.00 178.16 177.21 1x66 h LEU 88 N -0.89 0.31 -0.60 2.82 4.07 -1.38 0.17 115.31 119.81 1x66 h LEU 88 Ca -0.02 0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.85 1x66 h LEU 88 Cb 0.53 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1x66 h LEU 88 CO 0.03 0.12 -0.26 0.03 -1.08 0.00 0.00 178.44 177.28 1x66 h ARG 89 N 0.31 0.83 -1.19 1.13 3.08 -0.55 -3.00 114.38 115.00 1x66 h ARG 89 Ca 0.46 -0.36 -0.51 0.00 0.07 0.00 0.00 59.98 59.64 1x66 h ARG 89 Cb 1.28 -0.02 -0.23 0.00 0.08 0.00 0.00 29.97 31.08 1x66 h ARG 89 CO -0.14 0.99 0.66 0.39 -1.07 0.00 0.00 179.97 180.80 1x66 n GLU 90 N -4.10 2.26 -3.66 0.04 -0.58 0.56 -4.81 120.64 110.35 1x66 n GLU 90 Ca -0.00 -2.52 -0.06 0.00 -0.42 0.00 0.00 57.16 54.16 1x66 n GLU 90 Cb 0.46 -1.99 -0.08 0.00 -0.57 0.00 0.00 31.44 29.27 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 s SER 91 N -0.94 -0.58 -0.41 1.62 0.15 -1.06 -5.00 113.70 107.48 1x66 s SER 91 Ca 0.49 1.21 0.11 0.00 0.70 0.00 0.00 55.95 58.46 1x66 s SER 91 Cb 0.39 1.68 0.41 0.00 -1.71 0.00 0.00 66.02 66.79 1x66 s SER 91 CO 0.01 -0.23 0.95 -1.54 1.20 0.00 0.00 173.24 173.63 1x66 n SER 92 N 5.38 2.78 -2.11 5.45 3.41 -1.26 -3.14 113.62 124.14 1x66 n SER 92 Ca -0.10 -3.23 -0.19 0.00 -0.26 0.00 0.00 58.87 55.10 1x66 n SER 92 Cb 0.49 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1x66 n SER 92 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x66 n SER 93 N -0.15 -5.24 -4.76 4.04 7.64 -1.26 -4.96 113.62 108.93 1x66 n SER 93 Ca 0.25 0.19 -0.26 0.00 1.01 0.00 0.00 58.87 60.05 1x66 n SER 93 Cb 0.67 -4.48 -0.01 0.00 -1.01 0.00 0.00 64.21 59.39 1x66 n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x66 n GLY 94 N -0.75 2.85 3.71 0.23 0.00 -1.26 -5.13 105.19 104.84 1x66 n GLY 94 Ca -0.21 -2.31 -0.29 0.00 0.00 0.00 0.00 46.02 43.21 1x66 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x66 s PRO 95 N -4.17 1.00 0.07 1.61 0.04 -1.26 -5.03 135.00 127.26 1x66 s PRO 95 Ca 0.27 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 1x66 s PRO 95 Cb -0.02 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 1x66 s PRO 95 CO 0.17 -2.39 0.51 -1.54 0.04 0.00 0.00 177.00 173.79 1x66 s SER 96 N -3.44 6.92 1.21 6.66 1.04 -1.26 -5.01 113.70 119.82 1x66 s SER 96 Ca 0.64 1.12 -0.14 0.00 0.48 0.00 0.00 55.95 58.04 1x66 s SER 96 Cb -0.18 -2.30 0.21 0.00 0.10 0.00 0.00 66.02 63.85 1x66 s SER 96 CO 0.57 0.25 0.67 -1.20 0.98 0.00 0.00 173.24 174.51 1x66 n SER 97 N 1.51 -2.22 0.00 7.02 7.64 -1.26 -5.30 113.62 121.01 1x66 n SER 97 Ca -0.10 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1x66 n SER 97 Cb 0.51 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1x66 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64