#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x66 s SER 2 N 0.00 7.49 0.16 1.61 0.15 -1.26 -4.96 113.70 116.89 1x66 s SER 2 Ca 0.00 2.01 -0.03 0.00 0.70 0.00 0.00 55.95 58.62 1x66 s SER 2 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x66 s SER 2 CO 0.00 0.04 1.39 -1.28 1.20 0.00 0.00 173.24 174.59 1x66 h SER 3 N 3.88 0.55 -4.79 5.45 0.87 -2.10 -3.49 113.55 113.92 1x66 h SER 3 Ca -0.46 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 1x66 h SER 3 Cb 1.20 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1x66 h SER 3 CO 0.67 1.13 -0.21 0.61 -0.53 0.00 0.00 176.83 178.50 1x66 n GLY 4 N 0.65 -1.11 3.02 5.77 0.00 -1.26 -5.07 105.19 107.20 1x66 n GLY 4 Ca -0.05 0.67 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.48 -0.08 -0.08 1.61 0.01 -1.26 -5.05 113.70 106.37 1x66 s SER 5 Ca 0.11 0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.53 1x66 s SER 5 Cb -0.03 0.24 -0.06 0.00 0.21 0.00 0.00 66.02 66.38 1x66 s SER 5 CO 0.59 -0.12 -0.04 -1.54 0.41 0.00 0.00 173.24 172.54 1x66 n SER 6 N 2.65 3.36 0.00 2.44 3.41 -1.26 -5.09 113.62 119.12 1x66 n SER 6 Ca -0.15 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1x66 n SER 6 Cb 0.58 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1x66 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x66 n GLY 7 N 2.91 0.23 3.69 5.00 0.00 -1.26 -5.14 105.19 110.62 1x66 n GLY 7 Ca -0.13 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.73 0.15 1.61 0.04 -1.26 -4.98 135.00 131.29 1x66 s PRO 8 Ca 0.00 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 61.37 1x66 s PRO 8 Cb 0.00 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 1x66 s PRO 8 CO 0.00 -2.56 1.33 -1.25 0.04 0.00 0.00 177.00 174.57 1x66 s PRO 9 N -4.95 4.36 0.00 0.56 0.04 -1.26 -4.98 135.00 128.77 1x66 s PRO 9 Ca 0.65 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1x66 s PRO 9 Cb -0.18 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1x66 s PRO 9 CO 0.57 -0.33 0.88 0.09 0.04 0.00 0.00 177.00 178.26 1x66 n ASN 10 N 3.29 0.00 -4.86 6.66 4.13 -1.26 -4.69 115.26 118.53 1x66 n ASN 10 Ca 0.09 0.88 -0.35 0.00 1.68 0.00 0.00 54.58 56.88 1x66 n ASN 10 Cb 0.43 -0.38 -0.06 0.00 -1.54 0.00 0.00 39.78 38.23 1x66 n ASN 10 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1x66 s MET 11 N -2.54 3.82 -0.03 3.52 1.75 -1.26 -5.06 119.30 119.50 1x66 s MET 11 Ca 0.00 0.26 -0.28 0.00 -1.25 0.00 0.00 55.69 54.42 1x66 s MET 11 Cb 0.00 -3.01 -0.03 0.00 2.84 0.00 0.00 34.83 34.63 1x66 s MET 11 CO 0.00 0.56 0.91 0.95 -0.65 0.00 0.00 175.02 176.79 1x66 s THR 12 N -1.38 4.91 -0.03 10.11 -4.23 -1.26 -5.01 115.64 118.74 1x66 s THR 12 Ca 0.33 1.90 -0.31 0.00 -1.18 0.00 0.00 61.69 62.43 1x66 s THR 12 Cb -0.14 -4.25 0.12 0.00 1.34 0.00 0.00 72.50 69.57 1x66 s THR 12 CO 0.18 0.16 1.29 0.28 -0.54 0.00 0.00 174.62 175.99 1x66 s THR 13 N 1.08 0.00 -0.05 3.99 -1.32 -1.26 -4.90 115.64 113.18 1x66 s THR 13 Ca 0.48 -0.20 -0.07 0.00 -1.21 0.00 0.00 61.69 60.70 1x66 s THR 13 Cb -0.20 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 68.85 1x66 s THR 13 CO 0.24 0.00 -0.13 0.59 -2.21 0.00 0.00 174.62 173.11 1x66 n ASN 14 N -0.46 0.96 -2.26 8.08 4.13 -1.26 -4.71 115.26 119.73 1x66 n ASN 14 Ca -0.08 0.15 -0.29 0.00 1.68 0.00 0.00 54.58 56.04 1x66 n ASN 14 Cb 0.63 -0.48 0.13 0.00 -1.54 0.00 0.00 39.78 38.52 1x66 n ASN 14 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1x66 n GLU 15 N -3.44 2.44 -2.85 3.52 2.13 -1.26 -4.94 120.64 116.24 1x66 n GLU 15 Ca -0.05 -3.09 -0.04 0.00 0.66 0.00 0.00 57.16 54.64 1x66 n GLU 15 Cb 0.19 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1x66 n GLU 15 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x66 n ARG 16 N -1.01 -2.78 -2.52 5.31 3.00 -1.26 -5.05 116.66 112.35 1x66 n ARG 16 Ca 0.60 2.33 -0.01 0.00 -0.01 0.00 0.00 57.85 60.77 1x66 n ARG 16 Cb 1.18 -4.78 0.01 0.00 0.00 0.00 0.00 32.46 28.87 1x66 n ARG 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1x66 n ARG 17 N 0.48 0.22 -4.12 5.56 0.00 -1.26 -5.15 116.66 112.40 1x66 n ARG 17 Ca 0.03 -0.54 -0.15 0.00 -0.00 0.00 0.00 57.85 57.19 1x66 n ARG 17 Cb 0.21 0.75 -0.12 0.00 -0.00 0.00 0.00 32.46 33.31 1x66 n ARG 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1x66 s VAL 18 N -2.29 0.80 -0.57 8.89 1.01 -1.26 -4.74 120.40 122.25 1x66 s VAL 18 Ca 0.10 -1.22 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1x66 s VAL 18 Cb -0.01 -0.86 0.14 0.00 0.00 0.00 0.00 36.38 35.65 1x66 s VAL 18 CO 0.02 -0.34 0.32 -0.63 0.00 0.00 0.00 175.10 174.47 1x66 s ILE 19 N -1.43 2.60 0.07 2.22 1.01 -1.26 -5.08 121.20 119.33 1x66 s ILE 19 Ca -0.05 -3.54 0.02 0.00 0.00 0.00 0.00 60.65 57.07 1x66 s ILE 19 Cb -0.09 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1x66 s ILE 19 CO 0.01 -0.86 -0.07 0.68 0.00 0.00 0.00 174.94 174.69 1x66 s VAL 20 N -0.58 0.64 1.07 2.92 -7.23 -1.26 -5.07 120.40 110.89 1x66 s VAL 20 Ca 0.19 -1.51 -0.15 0.00 -1.81 0.00 0.00 61.98 58.70 1x66 s VAL 20 Cb -0.20 -1.16 0.22 0.00 0.56 0.00 0.00 36.38 35.81 1x66 s VAL 20 CO -0.05 -0.62 1.10 -2.16 -0.31 0.00 0.00 175.10 173.06 1x66 s PRO 21 N -2.70 -0.17 0.00 4.82 0.04 -1.26 -5.02 135.00 130.71 1x66 s PRO 21 Ca 0.01 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1x66 s PRO 21 Cb -0.02 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1x66 s PRO 21 CO -0.02 -3.09 0.64 0.00 0.04 0.00 0.00 177.00 174.57 1x66 n ALA 22 N -4.39 -0.16 -1.78 8.56 0.00 -1.26 -4.71 120.51 116.77 1x66 n ALA 22 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1x66 n ALA 22 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 1x66 n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1x66 s ASP 23 N -1.98 6.48 0.34 0.00 2.15 -1.25 -4.78 116.67 117.63 1x66 s ASP 23 Ca 0.00 2.93 0.13 0.00 0.43 0.00 0.00 52.55 56.04 1x66 s ASP 23 Cb 0.00 -2.66 0.59 0.00 -0.30 0.00 0.00 42.92 40.55 1x66 s ASP 23 CO 0.00 -0.76 1.74 1.55 -0.17 0.00 0.00 175.17 177.52 1x66 h PRO 24 N 3.19 0.00 0.00 4.34 0.13 -1.85 -2.86 132.00 134.95 1x66 h PRO 24 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1x66 h PRO 24 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x66 h PRO 24 CO 0.65 0.47 0.02 1.79 -0.23 0.00 0.00 178.00 180.70 1x66 h THR 25 N 0.00 0.00 -0.24 1.56 1.35 -1.92 0.22 112.91 113.89 1x66 h THR 25 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1x66 h THR 25 Cb 0.85 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1x66 h THR 25 CO 0.06 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.51 1x66 n LEU 26 N -2.98 1.63 -4.69 3.87 4.77 -1.08 -4.28 117.00 114.24 1x66 n LEU 26 Ca -0.03 -0.75 -0.40 0.00 -0.03 0.00 0.00 56.01 54.80 1x66 n LEU 26 Cb 0.09 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1x66 n LEU 26 CO 0.18 0.37 0.49 0.26 -1.33 0.00 0.00 177.39 177.37 1x66 s TRP 27 N -1.69 3.50 0.63 -1.77 0.51 0.77 -4.85 118.94 116.05 1x66 s TRP 27 Ca 0.27 1.24 -0.11 0.00 -2.12 0.00 0.00 56.10 55.38 1x66 s TRP 27 Cb 0.14 -2.90 0.15 0.00 -0.81 0.00 0.00 33.47 30.05 1x66 s TRP 27 CO 0.21 -0.07 0.79 0.25 -0.51 0.00 0.00 176.95 177.62 1x66 n THR 28 N 4.24 0.00 0.27 2.01 -2.24 -1.26 -0.09 114.28 117.21 1x66 n THR 28 Ca 0.01 -0.54 0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1x66 n THR 28 Cb 0.50 -1.60 0.82 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.03 -0.78 4.15 -1.94 -2.61 115.11 113.96 1x66 h GLN 29 Ca -0.26 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 58.78 1x66 h GLN 29 Cb 0.73 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 1x66 h GLN 29 CO 0.18 0.00 -2.15 -1.91 -1.93 0.00 0.00 178.83 173.02 1x66 n GLU 30 N -2.65 0.64 -0.07 1.69 4.07 -1.26 -4.29 120.64 118.78 1x66 n GLU 30 Ca -0.01 0.29 -0.07 0.00 -0.06 0.00 0.00 57.16 57.30 1x66 n GLU 30 Cb 0.11 -1.60 -0.01 0.00 -0.06 0.00 0.00 31.44 29.88 1x66 n GLU 30 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x66 h HIS 31 N -0.45 -0.53 -0.98 4.31 3.86 -1.82 0.11 115.15 119.66 1x66 h HIS 31 Ca -0.53 0.04 0.27 0.00 -1.16 0.00 0.00 60.37 58.99 1x66 h HIS 31 Cb 1.74 0.28 -0.05 0.00 1.06 0.00 0.00 27.41 30.44 1x66 h HIS 31 CO 0.02 -0.28 0.69 0.28 0.86 0.00 0.00 177.93 179.50 1x66 h VAL 32 N -0.19 0.53 0.13 2.45 2.07 -1.70 0.18 116.25 119.73 1x66 h VAL 32 Ca 0.15 -0.03 -0.20 0.00 0.82 0.00 0.00 66.70 67.44 1x66 h VAL 32 Cb 0.42 0.43 0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1x66 h VAL 32 CO -0.39 0.02 -0.85 0.03 0.02 0.00 0.00 177.57 176.39 1x66 h ARG 33 N 0.09 0.35 0.21 1.57 3.08 -1.04 -3.06 114.38 115.58 1x66 h ARG 33 Ca 0.48 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1x66 h ARG 33 Cb 1.76 0.20 0.00 0.00 0.08 0.00 0.00 29.97 32.00 1x66 h ARG 33 CO -0.06 1.24 -0.10 1.96 -1.07 0.00 0.00 179.97 181.95 1x66 h GLN 34 N -0.26 -0.27 -0.79 0.04 4.20 0.62 -2.36 115.11 116.30 1x66 h GLN 34 Ca -0.14 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.71 1x66 h GLN 34 Cb 1.64 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 29.43 1x66 h GLN 34 CO 0.16 -0.06 0.52 2.35 -0.67 0.00 0.00 178.83 181.13 1x66 h TRP 35 N -0.43 0.65 0.80 2.96 7.01 -0.89 -1.23 115.95 124.81 1x66 h TRP 35 Ca -0.03 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 1x66 h TRP 35 Cb 0.33 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1x66 h TRP 35 CO -0.02 0.27 -0.38 1.25 -2.79 0.00 0.00 178.44 176.76 1x66 h LEU 36 N 0.57 -0.91 -2.11 0.65 5.85 -1.38 -1.72 115.31 116.26 1x66 h LEU 36 Ca 0.38 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.22 1x66 h LEU 36 Cb 0.68 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1x66 h LEU 36 CO -0.14 -0.57 0.30 -0.33 -0.34 0.00 0.00 178.44 177.36 1x66 h GLU 37 N -1.24 0.00 0.38 1.25 5.08 -1.08 -2.12 114.58 116.84 1x66 h GLU 37 Ca -0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1x66 h GLU 37 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1x66 h GLU 37 CO 0.18 0.00 -0.18 2.35 -1.00 0.00 0.00 179.01 180.36 1x66 h TRP 38 N 0.00 -0.47 -0.86 4.33 7.01 -0.98 -2.26 115.95 122.73 1x66 h TRP 38 Ca 0.14 -0.01 0.25 0.00 2.11 0.00 0.00 58.89 61.38 1x66 h TRP 38 Cb 0.74 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.92 1x66 h TRP 38 CO 0.00 -0.29 0.62 0.00 -2.79 0.00 0.00 178.44 175.98 1x66 h ALA 39 N -1.39 2.82 0.02 2.65 0.00 -0.94 0.30 119.26 122.72 1x66 h ALA 39 Ca -0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1x66 h ALA 39 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x66 h ALA 39 CO 0.08 -1.06 -0.01 0.82 0.00 0.00 0.00 179.25 179.08 1x66 h ILE 40 N 0.00 1.35 0.00 0.00 2.04 -1.39 0.24 117.51 119.75 1x66 h ILE 40 Ca 0.41 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1x66 h ILE 40 Cb 1.65 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1x66 h ILE 40 CO -0.01 0.30 0.00 2.29 0.00 0.00 0.00 178.15 180.74 1x66 n LYS 41 N -4.86 0.42 -0.12 2.37 2.85 -0.35 -0.24 118.16 118.23 1x66 n LYS 41 Ca -0.09 0.03 -0.23 0.00 -1.05 0.00 0.00 58.31 56.97 1x66 n LYS 41 Cb 0.26 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.06 1x66 n LYS 41 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1x66 n GLU 42 N -1.26 0.57 -0.33 -1.58 4.07 0.91 -4.46 120.64 118.56 1x66 n GLU 42 Ca 0.13 0.27 0.06 0.00 -0.06 0.00 0.00 57.16 57.57 1x66 n GLU 42 Cb 0.21 -1.50 0.21 0.00 -0.06 0.00 0.00 31.44 30.30 1x66 n GLU 42 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1x66 n TYR 43 N -4.32 0.82 -3.60 4.31 4.01 0.84 -4.94 117.16 114.27 1x66 n TYR 43 Ca -0.42 -0.34 -0.28 0.00 -0.16 0.00 0.00 57.90 56.70 1x66 n TYR 43 Cb 0.77 -0.12 0.05 0.00 -0.31 0.00 0.00 39.34 39.73 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 0.66 -5.61 -4.89 7.72 7.64 -0.48 -4.97 113.62 113.69 1x66 n SER 44 Ca 0.15 -0.95 -0.32 0.00 1.01 0.00 0.00 58.87 58.77 1x66 n SER 44 Cb 0.52 -3.68 -0.05 0.00 -1.01 0.00 0.00 64.21 60.00 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 -6.22 4.24 0.17 -3.43 1.43 0.67 -5.03 118.68 110.51 1x66 s LEU 45 Ca 0.46 0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 54.22 1x66 s LEU 45 Cb -0.15 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1x66 s LEU 45 CO 0.84 0.03 0.20 -0.04 0.23 0.00 0.00 176.35 177.61 1x66 s MET 46 N -2.63 1.13 -1.61 1.70 -1.94 -1.26 -4.80 119.30 109.89 1x66 s MET 46 Ca 0.42 -1.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1x66 s MET 46 Cb -0.12 0.32 0.00 0.00 2.01 0.00 0.00 34.83 37.04 1x66 s MET 46 CO 0.23 -0.39 0.00 0.39 -0.01 0.00 0.00 175.02 175.24 1x66 n GLU 47 N -0.20 -1.37 -3.83 2.03 1.02 -1.26 -4.66 120.64 112.36 1x66 n GLU 47 Ca -0.04 0.93 -0.36 0.00 -0.02 0.00 0.00 57.16 57.66 1x66 n GLU 47 Cb 0.64 -5.35 -0.07 0.00 -0.02 0.00 0.00 31.44 26.64 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 -2.83 5.48 -0.78 -3.67 2.07 -1.26 -3.99 121.20 116.22 1x66 s ILE 48 Ca 0.00 0.20 -0.17 0.00 -1.41 0.00 0.00 60.65 59.27 1x66 s ILE 48 Cb 0.00 -3.42 0.15 0.00 0.13 0.00 0.00 42.46 39.32 1x66 s ILE 48 CO 0.00 0.56 0.85 -0.62 -1.91 0.00 0.00 174.94 173.82 1x66 s ASP 49 N -0.55 6.52 0.38 4.50 2.15 0.87 -4.87 116.67 125.67 1x66 s ASP 49 Ca 0.13 -2.06 0.14 0.00 0.43 0.00 0.00 52.55 51.19 1x66 s ASP 49 Cb -0.12 -2.30 0.77 0.00 -0.30 0.00 0.00 42.92 40.98 1x66 s ASP 49 CO 0.02 -0.91 1.85 0.71 -0.17 0.00 0.00 175.17 176.66 1x66 h THR 50 N 5.51 1.21 -0.57 1.71 1.35 -1.97 -2.73 112.91 117.42 1x66 h THR 50 Ca -0.02 -1.20 0.11 0.00 -0.55 0.00 0.00 66.41 64.74 1x66 h THR 50 Cb 1.05 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 69.10 1x66 h THR 50 CO 0.98 0.34 0.39 -1.28 -0.25 0.00 0.00 175.52 175.70 1x66 h SER 51 N 0.00 0.28 -0.06 5.36 0.87 -1.98 0.11 113.55 118.13 1x66 h SER 51 Ca -0.00 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1x66 h SER 51 Cb 0.63 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1x66 h SER 51 CO 0.05 0.17 0.09 0.15 -0.53 0.00 0.00 176.83 176.75 1x66 h PHE 52 N 0.31 0.00 -0.09 2.24 3.57 -1.88 -0.22 116.94 120.86 1x66 h PHE 52 Ca 0.27 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1x66 h PHE 52 Cb 0.63 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1x66 h PHE 52 CO -0.00 0.00 -0.07 1.19 -2.23 0.00 0.00 178.31 177.20 1x66 n PHE 53 N -3.56 0.32 0.16 0.41 3.01 0.34 -4.63 117.46 113.51 1x66 n PHE 53 Ca -0.02 -1.09 0.05 0.00 1.01 0.00 0.00 57.45 57.41 1x66 n PHE 53 Cb 0.18 -0.23 0.52 0.00 -0.01 0.00 0.00 39.48 39.93 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 0.66 0.19 0.00 -1.08 3.07 -0.67 -3.14 115.11 114.15 1x66 h GLN 54 Ca 0.02 -0.02 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 1x66 h GLN 54 Cb 1.17 -0.04 -0.31 0.00 0.08 0.00 0.00 27.48 28.38 1x66 h GLN 54 CO 0.09 0.19 -0.92 0.27 0.09 0.00 0.00 178.83 178.55 1x66 n ASN 55 N -4.45 1.06 -4.41 0.06 0.23 -1.26 -4.91 115.26 101.58 1x66 n ASN 55 Ca -0.01 -2.28 -0.44 0.00 -0.53 0.00 0.00 54.58 51.32 1x66 n ASN 55 Cb 0.13 -0.33 -0.04 0.00 -2.08 0.00 0.00 39.78 37.46 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1x66 s MET 56 N -0.49 3.08 0.67 -3.83 1.75 -1.18 -4.99 119.30 114.31 1x66 s MET 56 Ca 0.33 -1.09 -0.17 0.00 -1.25 0.00 0.00 55.69 53.50 1x66 s MET 56 Cb 0.36 -4.23 0.00 0.00 2.84 0.00 0.00 34.83 33.80 1x66 s MET 56 CO -0.14 -1.60 1.24 -0.40 -0.65 0.00 0.00 175.02 173.47 1x66 n ASP 57 N 6.80 1.76 -0.42 1.11 5.68 -1.26 -4.61 116.55 125.61 1x66 n ASP 57 Ca -0.07 0.79 0.34 0.00 -0.50 0.00 0.00 54.79 55.34 1x66 n ASP 57 Cb 0.44 -1.53 0.63 0.00 -1.14 0.00 0.00 41.12 39.52 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 0.29 1.06 0.89 6.12 0.00 -0.62 0.40 103.07 111.21 1x66 h GLY 58 Ca -0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 1x66 h GLY 58 CO 0.52 -0.26 0.08 0.50 0.00 0.00 0.00 176.54 177.37 1x66 h LYS 59 N 0.16 0.41 0.00 4.80 1.79 -1.77 -0.05 116.57 121.91 1x66 h LYS 59 Ca 0.74 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 1x66 h LYS 59 Cb 2.33 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.92 1x66 h LYS 59 CO -0.32 0.48 0.00 0.39 -1.08 0.00 0.00 179.45 178.92 1x66 n GLU 60 N -4.73 0.07 0.00 3.15 1.02 0.12 -2.67 120.64 117.60 1x66 n GLU 60 Ca -0.03 0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 1x66 n GLU 60 Cb 0.16 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 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 0.24 -0.03 -4.62 5.85 -0.49 -3.21 115.31 113.05 1x66 h LEU 61 Ca 0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1x66 h LEU 61 Cb 0.45 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1x66 h LEU 61 CO 0.00 1.46 0.00 0.00 -0.34 0.00 0.00 178.44 179.56 1x66 h LYS 63 N 0.00 0.00 -6.68 0.00 2.10 -1.63 -3.48 116.57 106.88 1x66 h LYS 63 Ca 0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 1x66 h LYS 63 Cb 0.76 0.00 0.18 0.00 -0.90 0.00 0.00 32.23 32.27 1x66 h LYS 63 CO 0.00 0.29 -0.28 -1.33 -2.00 0.00 0.00 179.45 176.13 1x66 n MET 64 N -2.90 0.41 -4.73 0.07 2.81 -1.20 -5.02 117.12 106.56 1x66 n MET 64 Ca -0.09 0.18 -0.32 0.00 -1.81 0.00 0.00 57.70 55.66 1x66 n MET 64 Cb 0.83 -1.89 -0.08 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.43 3.96 0.30 7.83 0.01 -1.26 -4.96 114.94 119.39 1x66 s ASN 65 Ca 0.68 -1.66 0.05 0.00 -0.71 0.00 0.00 52.86 51.22 1x66 s ASN 65 Cb -0.37 0.52 0.72 0.00 0.41 0.00 0.00 41.25 42.53 1x66 s ASN 65 CO 0.55 -0.87 1.78 0.50 -1.51 0.00 0.00 177.10 177.56 1x66 h LYS 66 N 1.40 0.76 0.64 -0.60 1.63 -1.95 0.16 116.57 118.61 1x66 h LYS 66 Ca -0.43 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.29 1x66 h LYS 66 Cb 1.31 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1x66 h LYS 66 CO 0.72 0.50 -0.31 0.93 -3.45 0.00 0.00 179.45 177.84 1x66 h GLU 67 N 0.78 -0.82 -0.72 1.90 4.39 -1.97 0.22 114.58 118.35 1x66 h GLU 67 Ca 0.57 0.06 0.20 0.00 0.34 0.00 0.00 59.36 60.53 1x66 h GLU 67 Cb 0.86 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1x66 h GLU 67 CO -0.37 -0.55 0.51 -0.44 -1.16 0.00 0.00 179.01 177.00 1x66 h ASP 68 N -1.12 0.04 0.48 1.42 3.32 -1.86 0.91 116.42 119.62 1x66 h ASP 68 Ca -0.09 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.67 1x66 h ASP 68 Cb 0.66 -0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.22 1x66 h ASP 68 CO 0.14 0.02 -1.31 -0.26 -1.72 0.00 0.00 179.24 176.12 1x66 h PHE 69 N 0.05 0.68 0.00 4.55 0.04 -0.59 -3.22 116.94 118.44 1x66 h PHE 69 Ca 0.34 -0.49 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1x66 h PHE 69 Cb 1.31 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.43 1x66 h PHE 69 CO -0.00 1.37 0.00 -0.07 -0.60 0.00 0.00 178.31 179.01 1x66 h LEU 70 N 0.11 0.00 -0.28 1.54 3.38 0.19 0.25 115.31 120.49 1x66 h LEU 70 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1x66 h LEU 70 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 1x66 h LEU 70 CO 0.23 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.30 1x66 n ARG 71 N -2.89 1.19 0.00 1.13 1.74 -0.51 -4.04 116.66 113.28 1x66 n ARG 71 Ca 0.01 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1x66 n ARG 71 Cb 0.27 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.60 1.95 -2.44 7.54 0.00 -0.76 -5.03 120.51 121.18 1x66 n ALA 72 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 1x66 n ALA 72 Cb 0.16 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.38 2.04 1.04 0.00 -1.32 0.80 -0.09 115.64 116.72 1x66 s THR 73 Ca 0.00 -2.06 -0.12 0.00 -1.21 0.00 0.00 61.69 58.31 1x66 s THR 73 Cb 0.00 -2.00 0.21 0.00 -1.51 0.00 0.00 72.50 69.20 1x66 s THR 73 CO 0.00 -0.31 1.08 0.28 -2.21 0.00 0.00 174.62 173.45 1x66 s THR 74 N -2.14 2.16 0.10 5.08 -1.32 -1.26 -4.05 115.64 114.22 1x66 s THR 74 Ca 0.20 0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.50 1x66 s THR 74 Cb -0.06 -2.18 -0.11 0.00 -1.51 0.00 0.00 72.50 68.65 1x66 s THR 74 CO 0.09 -0.07 1.71 0.25 -2.21 0.00 0.00 174.62 174.39 1x66 h LEU 75 N -2.19 -0.22 -0.45 9.08 5.85 -1.94 0.13 115.31 125.57 1x66 h LEU 75 Ca -0.53 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.31 1x66 h LEU 75 Cb 1.30 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.33 1x66 h LEU 75 CO 0.48 -0.12 -0.20 0.22 -0.34 0.00 0.00 178.44 178.49 1x66 h TYR 76 N -0.15 -0.50 -0.35 1.25 5.03 -2.00 0.16 116.97 120.41 1x66 h TYR 76 Ca 0.03 0.05 -0.08 0.00 2.58 0.00 0.00 58.73 61.30 1x66 h TYR 76 Cb 0.18 0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 1x66 h TYR 76 CO -0.14 -0.28 -0.12 -0.91 -1.32 0.00 0.00 178.16 175.39 1x66 h ASN 77 N -0.11 0.60 -0.57 -2.11 2.35 -1.86 -2.67 115.58 111.22 1x66 h ASN 77 Ca 0.21 -0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1x66 h ASN 77 Cb 0.44 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1x66 h ASN 77 CO -0.52 0.75 0.38 0.74 -1.65 0.00 0.00 177.43 177.13 1x66 h THR 78 N 0.57 1.01 -0.20 2.81 2.02 0.12 -0.87 112.91 118.37 1x66 h THR 78 Ca 0.10 -0.20 -0.20 0.00 0.77 0.00 0.00 66.41 66.88 1x66 h THR 78 Cb 0.54 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1x66 h THR 78 CO 0.03 0.10 -0.68 -0.33 0.37 0.00 0.00 175.52 175.02 1x66 h GLU 79 N 0.57 0.78 0.61 6.66 5.08 -0.93 -2.55 114.58 124.80 1x66 h GLU 79 Ca 0.24 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1x66 h GLU 79 Cb 0.23 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1x66 h GLU 79 CO -0.07 1.19 -0.29 0.28 -1.00 0.00 0.00 179.01 179.12 1x66 h VAL 80 N 0.56 0.23 -0.02 3.13 2.07 -1.20 -1.13 116.25 119.89 1x66 h VAL 80 Ca -0.02 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1x66 h VAL 80 Cb 1.29 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1x66 h VAL 80 CO 0.14 0.03 -0.37 -0.07 0.02 0.00 0.00 177.57 177.32 1x66 h LEU 81 N -1.08 -1.12 -0.46 2.57 3.38 -1.30 0.24 115.31 117.54 1x66 h LEU 81 Ca -0.08 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1x66 h LEU 81 Cb 0.67 0.45 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1x66 h LEU 81 CO 0.14 -0.42 0.01 -0.07 0.09 0.00 0.00 178.44 178.19 1x66 h LEU 82 N -0.51 -0.17 -0.36 1.67 -0.00 -1.52 0.11 115.31 114.52 1x66 h LEU 82 Ca 0.06 0.11 0.01 0.00 -0.00 0.00 0.00 57.88 58.06 1x66 h LEU 82 Cb 0.60 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 1x66 h LEU 82 CO -0.30 -0.05 0.22 -1.28 -0.00 0.00 0.00 178.44 177.02 1x66 h SER 83 N 0.12 0.37 0.85 -0.43 0.87 -0.55 0.55 113.55 115.34 1x66 h SER 83 Ca 0.23 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1x66 h SER 83 Cb 0.34 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1x66 h SER 83 CO -0.37 0.27 -0.43 -0.74 -0.53 0.00 0.00 176.83 175.03 1x66 h HIS 84 N 0.45 -1.11 -0.19 2.24 -0.00 0.32 -2.41 115.15 114.45 1x66 h HIS 84 Ca 0.14 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 1x66 h HIS 84 Cb -0.02 0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1x66 h HIS 84 CO -0.06 -0.68 0.18 1.25 -0.00 0.00 0.00 177.93 178.62 1x66 h LEU 85 N -1.17 0.00 -0.64 0.26 5.85 -0.75 -1.74 115.31 117.13 1x66 h LEU 85 Ca -0.12 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1x66 h LEU 85 Cb 0.90 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1x66 h LEU 85 CO 0.18 0.00 0.30 0.77 -0.34 0.00 0.00 178.44 179.35 1x66 h SER 86 N 0.00 0.38 0.13 1.25 4.64 -0.35 0.25 113.55 119.85 1x66 h SER 86 Ca 0.09 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1x66 h SER 86 Cb 0.46 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1x66 h SER 86 CO -0.00 0.23 -0.06 0.22 -0.87 0.00 0.00 176.83 176.35 1x66 h TYR 87 N 0.53 -0.16 -0.90 4.77 3.20 -1.29 -2.82 116.97 120.29 1x66 h TYR 87 Ca 0.31 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.40 1x66 h TYR 87 Cb 0.31 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 1x66 h TYR 87 CO -0.12 0.28 0.61 -0.07 -1.64 0.00 0.00 178.16 177.22 1x66 h LEU 88 N -0.90 0.29 -0.48 2.82 4.07 -1.38 0.26 115.31 119.99 1x66 h LEU 88 Ca -0.02 0.03 -0.17 0.00 0.08 0.00 0.00 57.88 57.81 1x66 h LEU 88 Cb 0.52 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1x66 h LEU 88 CO 0.03 0.11 -0.62 0.03 -1.08 0.00 0.00 178.44 176.91 1x66 h ARG 89 N 0.29 0.49 -0.94 1.13 3.08 -0.54 -3.14 114.38 114.75 1x66 h ARG 89 Ca 0.46 -0.34 -0.59 0.00 0.07 0.00 0.00 59.98 59.59 1x66 h ARG 89 Cb 1.34 0.05 -0.29 0.00 0.08 0.00 0.00 29.97 31.15 1x66 h ARG 89 CO -0.14 0.96 0.62 0.39 -1.07 0.00 0.00 179.97 180.73 1x66 n GLU 90 N -3.91 2.57 -0.73 0.04 -0.58 0.81 -4.32 120.64 114.51 1x66 n GLU 90 Ca -0.04 -3.26 0.05 0.00 -0.42 0.00 0.00 57.16 53.49 1x66 n GLU 90 Cb 0.64 -2.22 0.11 0.00 -0.57 0.00 0.00 31.44 29.41 1x66 n GLU 90 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x66 n SER 91 N -0.99 1.40 -3.64 1.62 2.88 -0.58 -4.97 113.62 109.34 1x66 n SER 91 Ca 0.59 -2.95 -0.09 0.00 -1.33 0.00 0.00 58.87 55.09 1x66 n SER 91 Cb 1.02 -0.40 -0.07 0.00 -0.75 0.00 0.00 64.21 64.01 1x66 n SER 91 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x66 s SER 92 N -2.51 -0.65 0.36 -3.46 0.15 -1.26 -4.74 113.70 101.60 1x66 s SER 92 Ca 0.30 1.17 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1x66 s SER 92 Cb 0.30 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 1x66 s SER 92 CO -0.07 -0.20 0.00 -0.24 1.20 0.00 0.00 173.24 173.94 1x66 n SER 93 N 3.00 -7.58 -4.99 5.45 2.88 -1.26 -4.91 113.62 106.21 1x66 n SER 93 Ca -0.15 1.28 -0.19 0.00 -1.33 0.00 0.00 58.87 58.48 1x66 n SER 93 Cb 0.56 -3.65 0.05 0.00 -0.75 0.00 0.00 64.21 60.42 1x66 n SER 93 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x66 s GLY 94 N -6.47 1.81 0.23 0.46 0.00 -1.26 -5.03 107.32 97.06 1x66 s GLY 94 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.80 1x66 s GLY 94 CO 0.00 -1.55 1.60 -0.56 0.00 0.00 0.00 173.10 172.59 1x66 h PRO 95 N 0.26 0.49 -0.57 2.90 0.13 -2.00 -3.06 132.00 130.16 1x66 h PRO 95 Ca -0.34 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1x66 h PRO 95 Cb 1.28 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1x66 h PRO 95 CO 0.43 0.83 0.34 0.66 -0.23 0.00 0.00 178.00 180.03 1x66 h SER 96 N 0.40 0.67 -6.08 1.44 4.64 -2.01 -3.46 113.55 109.15 1x66 h SER 96 Ca 0.03 -0.03 -0.42 0.00 -0.47 0.00 0.00 61.79 60.89 1x66 h SER 96 Cb 0.92 -0.17 0.05 0.00 -0.31 0.00 0.00 62.40 62.89 1x66 h SER 96 CO 0.08 0.52 -0.80 -1.20 -0.87 0.00 0.00 176.83 174.56 1x66 n SER 97 N -4.42 -2.51 0.00 4.97 7.64 -1.16 -5.28 113.62 112.86 1x66 n SER 97 Ca 0.05 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1x66 n SER 97 Cb 0.07 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 1x66 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64