#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 5.90 -0.80 1.61 0.01 -1.26 -5.05 113.70 114.12 1x66 s SER 2 Ca 0.00 0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 1x66 s SER 2 Cb 0.00 -1.39 0.14 0.00 0.21 0.00 0.00 66.02 64.98 1x66 s SER 2 CO 0.00 -0.57 0.92 -0.44 0.41 0.00 0.00 173.24 173.56 1x66 s SER 3 N -4.19 6.51 0.11 2.44 0.01 -1.26 -5.01 113.70 112.31 1x66 s SER 3 Ca 0.47 -1.97 0.05 0.00 1.31 0.00 0.00 55.95 55.81 1x66 s SER 3 Cb -0.10 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1x66 s SER 3 CO 0.35 -0.99 -0.12 -0.83 0.41 0.00 0.00 173.24 172.06 1x66 s GLY 4 N 3.28 0.95 -0.07 3.44 0.00 -1.26 -5.15 107.32 108.51 1x66 s GLY 4 Ca 0.23 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.66 1x66 s GLY 4 CO -0.04 -1.31 0.18 -0.45 0.00 0.00 0.00 173.10 171.48 1x66 s SER 5 N -2.48 -0.17 -0.53 1.64 0.15 -1.26 -5.12 113.70 105.93 1x66 s SER 5 Ca 0.07 0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.93 1x66 s SER 5 Cb -0.04 0.31 0.13 0.00 -1.71 0.00 0.00 66.02 64.71 1x66 s SER 5 CO 0.01 -0.10 0.48 -0.55 1.20 0.00 0.00 173.24 174.28 1x66 s SER 6 N 0.61 6.16 -0.43 5.45 0.15 -1.26 -4.95 113.70 119.43 1x66 s SER 6 Ca -0.04 -1.77 0.07 0.00 0.70 0.00 0.00 55.95 54.91 1x66 s SER 6 Cb -0.06 -2.20 0.24 0.00 -1.71 0.00 0.00 66.02 62.29 1x66 s SER 6 CO -0.03 -0.84 0.52 0.61 1.20 0.00 0.00 173.24 174.70 1x66 n GLY 7 N 5.23 2.98 3.69 9.45 0.00 -1.26 -5.13 105.19 120.15 1x66 n GLY 7 Ca -0.14 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.14 0.73 0.15 1.61 0.04 -1.26 -4.98 135.00 130.15 1x66 s PRO 8 Ca 0.35 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 1x66 s PRO 8 Cb 0.14 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.84 1x66 s PRO 8 CO -0.11 -2.55 1.33 -1.25 0.04 0.00 0.00 177.00 174.46 1x66 s PRO 9 N -4.95 4.36 -0.12 0.56 0.04 -1.26 -4.94 135.00 128.69 1x66 s PRO 9 Ca 0.65 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.73 1x66 s PRO 9 Cb -0.18 -3.23 -0.24 0.00 0.04 0.00 0.00 34.50 30.88 1x66 s PRO 9 CO 0.57 -0.33 0.36 0.09 0.04 0.00 0.00 177.00 177.73 1x66 n ASN 10 N 3.32 1.67 -4.81 6.66 4.13 -1.26 -4.89 115.26 120.09 1x66 n ASN 10 Ca 0.09 0.21 -0.38 0.00 1.68 0.00 0.00 54.58 56.18 1x66 n ASN 10 Cb 0.43 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 38.10 1x66 n ASN 10 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1x66 s MET 11 N -2.56 4.02 -0.13 3.52 -1.94 -1.26 -5.08 119.30 115.87 1x66 s MET 11 Ca -0.19 0.38 0.01 0.00 -1.71 0.00 0.00 55.69 54.19 1x66 s MET 11 Cb 0.07 -3.28 -0.00 0.00 2.01 0.00 0.00 34.83 33.63 1x66 s MET 11 CO 0.77 0.55 -0.18 0.95 -0.01 0.00 0.00 175.02 177.10 1x66 s THR 12 N -0.61 2.54 0.00 2.05 -4.23 -1.26 -5.09 115.64 109.04 1x66 s THR 12 Ca 0.23 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1x66 s THR 12 Cb -0.16 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1x66 s THR 12 CO 0.12 0.53 0.00 1.07 -0.54 0.00 0.00 174.62 175.80 1x66 n THR 13 N 3.73 0.00 -0.26 3.99 5.66 -1.26 -5.02 114.28 121.12 1x66 n THR 13 Ca -0.19 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 60.98 1x66 n THR 13 Cb 0.52 0.00 0.45 0.00 -1.55 0.00 0.00 70.33 69.76 1x66 n THR 13 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1x66 h ASN 14 N 0.00 0.52 -4.15 1.09 4.21 -1.98 -3.42 115.58 111.84 1x66 h ASN 14 Ca 0.00 0.05 -0.11 0.00 1.21 0.00 0.00 56.30 57.45 1x66 h ASN 14 Cb 0.00 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.17 1x66 h ASN 14 CO 0.00 0.22 0.01 1.21 -1.29 0.00 0.00 177.43 177.58 1x66 n GLU 15 N -4.56 0.65 -3.18 0.81 4.07 -1.26 -5.05 120.64 112.12 1x66 n GLU 15 Ca 0.19 -0.68 -0.31 0.00 -0.06 0.00 0.00 57.16 56.30 1x66 n GLU 15 Cb 0.62 -0.11 -0.05 0.00 -0.06 0.00 0.00 31.44 31.84 1x66 n GLU 15 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x66 n ARG 16 N -1.37 3.25 -3.47 5.31 5.12 -1.26 -5.02 116.66 119.21 1x66 n ARG 16 Ca 0.04 -4.70 -0.06 0.00 -1.93 0.00 0.00 57.85 51.20 1x66 n ARG 16 Cb 0.14 -2.31 0.02 0.00 -1.16 0.00 0.00 32.46 29.15 1x66 n ARG 16 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1x66 n ARG 17 N 0.61 0.83 -3.96 5.56 1.85 -1.26 -5.17 116.66 115.12 1x66 n ARG 17 Ca 0.31 -1.69 -0.31 0.00 -1.00 0.00 0.00 57.85 55.16 1x66 n ARG 17 Cb 0.38 2.17 -0.05 0.00 -1.05 0.00 0.00 32.46 33.91 1x66 n ARG 17 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1x66 s VAL 18 N -2.18 5.13 -0.91 8.89 0.11 -1.26 -4.89 120.40 125.28 1x66 s VAL 18 Ca 0.16 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1x66 s VAL 18 Cb -0.04 -3.50 0.31 0.00 -1.53 0.00 0.00 36.38 31.62 1x66 s VAL 18 CO 0.08 0.12 1.45 -0.38 -3.33 0.00 0.00 175.10 173.04 1x66 n ILE 19 N 0.29 4.91 -4.18 7.04 5.41 -1.26 -5.02 119.36 126.56 1x66 n ILE 19 Ca -0.06 -5.81 -0.26 0.00 1.00 0.00 0.00 62.75 57.61 1x66 n ILE 19 Cb 0.51 -1.72 -0.07 0.00 -0.71 0.00 0.00 39.64 37.65 1x66 n ILE 19 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1x66 s VAL 20 N -3.75 3.91 1.24 1.39 -7.23 -1.26 -5.12 120.40 109.58 1x66 s VAL 20 Ca 0.39 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 59.00 1x66 s VAL 20 Cb 0.17 -2.98 0.30 0.00 0.56 0.00 0.00 36.38 34.43 1x66 s VAL 20 CO -0.05 -0.12 1.11 -2.16 -0.31 0.00 0.00 175.10 173.57 1x66 s PRO 21 N -3.01 -1.54 0.00 4.82 0.04 -1.26 -5.03 135.00 129.02 1x66 s PRO 21 Ca 0.28 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1x66 s PRO 21 Cb -0.09 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1x66 s PRO 21 CO 0.20 -3.90 0.47 0.00 0.04 0.00 0.00 177.00 173.81 1x66 n ALA 22 N -4.87 -0.11 -1.77 8.56 0.00 -1.26 -4.77 120.51 116.28 1x66 n ALA 22 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 1x66 n ALA 22 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.90 6.26 0.32 0.00 2.15 -1.26 -4.84 116.67 117.41 1x66 s ASP 23 Ca 0.00 2.81 0.11 0.00 0.43 0.00 0.00 52.55 55.90 1x66 s ASP 23 Cb 0.00 -2.65 0.53 0.00 -0.30 0.00 0.00 42.92 40.50 1x66 s ASP 23 CO 0.00 -0.90 1.72 1.55 -0.17 0.00 0.00 175.17 177.37 1x66 h PRO 24 N 2.74 0.05 -0.00 4.34 0.13 -1.86 -2.88 132.00 134.52 1x66 h PRO 24 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1x66 h PRO 24 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x66 h PRO 24 CO 0.63 0.52 0.05 1.79 -0.23 0.00 0.00 178.00 180.76 1x66 h THR 25 N 0.04 0.00 -0.29 1.56 1.35 -1.92 0.24 112.91 113.89 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 0.86 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 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 -3.05 1.67 -4.69 3.87 4.77 -1.08 -4.28 117.00 114.21 1x66 n LEU 26 Ca -0.03 -0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 54.74 1x66 n LEU 26 Cb 0.12 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1x66 n LEU 26 CO 0.19 0.41 0.39 0.26 -1.33 0.00 0.00 177.39 177.31 1x66 s TRP 27 N -1.62 3.47 0.62 -1.77 0.51 0.84 -4.83 118.94 116.16 1x66 s TRP 27 Ca 0.24 1.09 -0.11 0.00 -2.12 0.00 0.00 56.10 55.20 1x66 s TRP 27 Cb 0.12 -2.80 0.14 0.00 -0.81 0.00 0.00 33.47 30.13 1x66 s TRP 27 CO 0.17 -0.05 0.81 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 -0.10 114.28 117.20 1x66 n THR 28 Ca -0.01 -0.57 0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1x66 n THR 28 Cb 0.50 -1.63 0.80 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 -1.94 -2.54 115.11 114.04 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 0.74 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 1x66 h GLN 29 CO 0.19 0.00 -2.19 -1.91 -1.93 0.00 0.00 178.83 172.99 1x66 n GLU 30 N -2.63 0.66 -0.01 1.69 4.07 -1.26 -4.27 120.64 118.89 1x66 n GLU 30 Ca -0.01 0.26 -0.09 0.00 -0.06 0.00 0.00 57.16 57.26 1x66 n GLU 30 Cb 0.11 -1.60 -0.03 0.00 -0.06 0.00 0.00 31.44 29.86 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 -0.30 -0.44 -0.98 4.31 3.86 -1.81 0.10 115.15 119.88 1x66 h HIS 31 Ca -0.53 0.03 0.28 0.00 -1.16 0.00 0.00 60.37 58.99 1x66 h HIS 31 Cb 1.81 0.22 -0.05 0.00 1.06 0.00 0.00 27.41 30.45 1x66 h HIS 31 CO 0.03 -0.25 0.70 0.28 0.86 0.00 0.00 177.93 179.55 1x66 h VAL 32 N -0.20 0.52 0.11 2.45 2.07 -1.69 0.21 116.25 119.72 1x66 h VAL 32 Ca 0.11 -0.02 -0.15 0.00 0.82 0.00 0.00 66.70 67.45 1x66 h VAL 32 Cb 0.36 0.45 0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1x66 h VAL 32 CO -0.28 0.01 -0.65 0.03 0.02 0.00 0.00 177.57 176.71 1x66 h ARG 33 N 0.07 0.25 0.12 1.57 3.08 -1.24 -3.13 114.38 115.10 1x66 h ARG 33 Ca 0.48 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1x66 h ARG 33 Cb 1.79 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.99 1x66 h ARG 33 CO -0.05 1.19 -0.06 1.96 -1.07 0.00 0.00 179.97 181.94 1x66 h GLN 34 N -0.47 -0.16 -0.83 0.04 4.20 0.61 -2.58 115.11 115.92 1x66 h GLN 34 Ca -0.11 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.76 1x66 h GLN 34 Cb 1.50 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.26 1x66 h GLN 34 CO 0.12 -0.02 0.54 2.35 -0.67 0.00 0.00 178.83 181.15 1x66 h TRP 35 N -0.25 0.66 0.69 2.96 7.01 -0.83 -1.17 115.95 125.00 1x66 h TRP 35 Ca -0.02 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 1x66 h TRP 35 Cb 0.20 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1x66 h TRP 35 CO -0.04 0.24 -0.33 1.25 -2.79 0.00 0.00 178.44 176.77 1x66 h LEU 36 N 0.56 -0.78 -2.06 0.65 5.85 -1.41 -1.28 115.31 116.83 1x66 h LEU 36 Ca 0.41 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.27 1x66 h LEU 36 Cb 0.79 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1x66 h LEU 36 CO -0.16 -0.52 0.35 -0.33 -0.34 0.00 0.00 178.44 177.44 1x66 h GLU 37 N -1.01 0.00 0.35 1.25 5.08 -1.13 -1.99 114.58 117.14 1x66 h GLU 37 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1x66 h GLU 37 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1x66 h GLU 37 CO 0.16 0.00 -0.17 2.35 -1.00 0.00 0.00 179.01 180.35 1x66 h TRP 38 N 0.00 -0.44 -0.90 4.33 7.01 -0.94 -2.20 115.95 122.81 1x66 h TRP 38 Ca 0.18 -0.01 0.26 0.00 2.11 0.00 0.00 58.89 61.42 1x66 h TRP 38 Cb 0.88 0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 28.04 1x66 h TRP 38 CO 0.00 -0.27 0.64 0.00 -2.79 0.00 0.00 178.44 176.02 1x66 h ALA 39 N -1.46 2.79 -0.04 2.65 0.00 -0.85 0.31 119.26 122.67 1x66 h ALA 39 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1x66 h ALA 39 Cb 0.36 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x66 h ALA 39 CO 0.08 -1.05 -0.04 0.82 0.00 0.00 0.00 179.25 179.05 1x66 h ILE 40 N 0.04 1.38 0.00 0.00 2.04 -1.37 0.25 117.51 119.85 1x66 h ILE 40 Ca 0.43 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1x66 h ILE 40 Cb 1.67 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 1x66 h ILE 40 CO -0.02 0.33 0.00 0.07 0.00 0.00 0.00 178.15 178.53 1x66 h LYS 41 N -0.36 0.00 0.00 2.37 2.10 -0.43 0.35 116.57 120.60 1x66 h LYS 41 Ca 0.01 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.57 1x66 h LYS 41 Cb 0.55 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1x66 h LYS 41 CO 0.01 0.00 -0.63 1.49 -2.00 0.00 0.00 179.45 178.32 1x66 h GLU 42 N 0.00 0.00 -0.30 0.07 4.57 -0.39 -3.36 114.58 115.17 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 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1x66 h GLU 42 CO 0.00 0.54 0.00 0.66 -1.18 0.00 0.00 179.01 179.03 1x66 n TYR 43 N -4.57 0.40 -3.64 0.92 4.01 0.85 -4.94 117.16 110.20 1x66 n TYR 43 Ca -0.16 -0.20 -0.28 0.00 -0.16 0.00 0.00 57.90 57.11 1x66 n TYR 43 Cb 0.41 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.47 -4.82 -4.87 7.72 7.64 0.82 -4.96 113.62 115.62 1x66 n SER 44 Ca 0.13 -0.95 -0.31 0.00 1.01 0.00 0.00 58.87 58.75 1x66 n SER 44 Cb 0.31 -3.70 -0.05 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 -6.36 4.02 0.17 -3.43 1.43 0.87 -5.01 118.68 110.38 1x66 s LEU 45 Ca 0.40 1.07 -0.05 0.00 -1.03 0.00 0.00 54.13 54.51 1x66 s LEU 45 Cb -0.13 -3.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 1x66 s LEU 45 CO 0.84 -0.22 0.21 -0.04 0.23 0.00 0.00 176.35 177.37 1x66 s MET 46 N -3.26 1.15 -1.49 1.70 -1.94 -1.26 -4.83 119.30 109.38 1x66 s MET 46 Ca 0.50 -1.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1x66 s MET 46 Cb -0.11 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.06 1x66 s MET 46 CO 0.24 -0.40 0.00 0.39 -0.01 0.00 0.00 175.02 175.24 1x66 n GLU 47 N -0.21 -1.39 -4.13 2.03 1.02 -1.26 -4.65 120.64 112.05 1x66 n GLU 47 Ca -0.04 0.85 -0.35 0.00 -0.02 0.00 0.00 57.16 57.59 1x66 n GLU 47 Cb 0.64 -5.31 -0.09 0.00 -0.02 0.00 0.00 31.44 26.66 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 -2.87 4.78 -0.81 -3.67 2.07 -1.26 -3.67 121.20 115.76 1x66 s ILE 48 Ca 0.00 -0.06 -0.16 0.00 -1.41 0.00 0.00 60.65 59.02 1x66 s ILE 48 Cb 0.00 -3.08 0.17 0.00 0.13 0.00 0.00 42.46 39.69 1x66 s ILE 48 CO 0.00 0.56 0.86 -0.62 -1.91 0.00 0.00 174.94 173.83 1x66 s ASP 49 N -0.50 6.62 0.47 4.50 -1.08 0.85 -4.87 116.67 122.65 1x66 s ASP 49 Ca 0.10 -2.28 0.21 0.00 -0.52 0.00 0.00 52.55 50.06 1x66 s ASP 49 Cb -0.12 -2.28 1.16 0.00 -1.46 0.00 0.00 42.92 40.22 1x66 s ASP 49 CO 0.02 -0.81 1.99 0.71 0.52 0.00 0.00 175.17 177.60 1x66 h THR 50 N 5.31 0.86 -0.03 1.71 1.35 -1.97 -2.24 112.91 117.89 1x66 h THR 50 Ca 0.05 -0.73 0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1x66 h THR 50 Cb 1.04 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1x66 h THR 50 CO 0.92 0.19 0.04 -1.28 -0.25 0.00 0.00 175.52 175.14 1x66 h SER 51 N 0.00 0.00 0.54 5.36 0.87 -1.97 0.12 113.55 118.47 1x66 h SER 51 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1x66 h SER 51 Cb 0.41 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1x66 h SER 51 CO 0.02 0.00 -0.09 0.15 -0.53 0.00 0.00 176.83 176.39 1x66 h PHE 52 N 0.00 0.00 -0.14 2.24 3.04 -1.79 -2.34 116.94 117.95 1x66 h PHE 52 Ca 0.01 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1x66 h PHE 52 Cb 0.09 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1x66 h PHE 52 CO 0.00 0.09 -0.03 1.19 -2.02 0.00 0.00 178.31 177.53 1x66 n PHE 53 N -3.39 0.48 0.28 0.41 3.01 0.01 -4.65 117.46 113.60 1x66 n PHE 53 Ca -0.01 -1.03 0.14 0.00 1.01 0.00 0.00 57.45 57.56 1x66 n PHE 53 Cb 0.26 -0.25 0.82 0.00 -0.01 0.00 0.00 39.48 40.29 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 0.88 0.00 -0.21 -1.08 3.07 -1.15 -3.14 115.11 113.48 1x66 h GLN 54 Ca 0.02 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.55 1x66 h GLN 54 Cb 1.24 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 28.45 1x66 h GLN 54 CO 0.12 0.07 -0.95 0.09 0.09 0.00 0.00 178.83 178.25 1x66 n ASN 55 N -3.72 0.90 -4.28 0.06 3.02 -1.26 -4.96 115.26 105.02 1x66 n ASN 55 Ca -0.02 -2.03 -0.45 0.00 -0.03 0.00 0.00 54.58 52.05 1x66 n ASN 55 Cb 0.17 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.03 1x66 n ASN 55 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1x66 s MET 56 N -1.86 2.85 0.67 3.52 1.75 -1.19 -5.04 119.30 120.01 1x66 s MET 56 Ca 0.26 -1.72 -0.17 0.00 -1.25 0.00 0.00 55.69 52.81 1x66 s MET 56 Cb 0.33 -4.20 0.00 0.00 2.84 0.00 0.00 34.83 33.81 1x66 s MET 56 CO -0.09 -1.29 1.25 -0.40 -0.65 0.00 0.00 175.02 173.84 1x66 n ASP 57 N 5.16 1.78 -0.41 1.11 5.68 -1.26 -4.61 116.55 124.00 1x66 n ASP 57 Ca -0.12 0.79 0.34 0.00 -0.50 0.00 0.00 54.79 55.29 1x66 n ASP 57 Cb 0.40 -1.53 0.65 0.00 -1.14 0.00 0.00 41.12 39.50 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 0.83 0.92 6.12 0.00 -0.64 0.42 103.07 111.02 1x66 h GLY 58 Ca -0.50 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1x66 h GLY 58 CO 0.52 -0.18 0.08 0.50 0.00 0.00 0.00 176.54 177.46 1x66 h LYS 59 N 0.15 0.60 0.00 4.80 1.79 -1.76 -0.10 116.57 122.05 1x66 h LYS 59 Ca 0.71 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 59.03 1x66 h LYS 59 Cb 2.32 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.89 1x66 h LYS 59 CO -0.24 0.64 0.00 0.39 -1.08 0.00 0.00 179.45 179.16 1x66 n GLU 60 N -4.58 0.07 0.00 3.15 -0.58 0.13 -2.92 120.64 115.90 1x66 n GLU 60 Ca -0.01 0.10 -0.15 0.00 -0.42 0.00 0.00 57.16 56.68 1x66 n GLU 60 Cb 0.21 -1.58 -0.14 0.00 -0.57 0.00 0.00 31.44 29.35 1x66 n GLU 60 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x66 h LEU 61 N 0.00 0.24 -0.19 -4.62 5.85 -0.51 -3.22 115.31 112.86 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 0.51 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.47 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 -6.67 0.00 2.10 -1.66 -3.47 116.57 106.87 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 0.76 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.26 1x66 h LYS 63 CO 0.00 0.29 -0.21 -1.33 -2.00 0.00 0.00 179.45 176.20 1x66 n MET 64 N -2.92 0.56 -4.73 0.07 2.81 -1.18 -5.02 117.12 106.71 1x66 n MET 64 Ca -0.07 0.23 -0.32 0.00 -1.81 0.00 0.00 57.70 55.72 1x66 n MET 64 Cb 0.81 -1.91 -0.08 0.00 -0.71 0.00 0.00 33.22 31.33 1x66 n MET 64 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x66 s ASN 65 N -1.32 3.98 0.38 7.83 2.20 -1.26 -4.96 114.94 121.79 1x66 s ASN 65 Ca 0.71 -1.63 0.14 0.00 -0.94 0.00 0.00 52.86 51.14 1x66 s ASN 65 Cb -0.40 0.44 0.99 0.00 -2.00 0.00 0.00 41.25 40.28 1x66 s ASN 65 CO 0.53 -0.83 1.82 0.50 -2.94 0.00 0.00 177.10 176.18 1x66 h LYS 66 N 1.43 0.50 0.54 3.55 1.63 -1.95 0.19 116.57 122.46 1x66 h LYS 66 Ca -0.43 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 1x66 h LYS 66 Cb 1.31 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1x66 h LYS 66 CO 0.73 0.33 -0.26 0.93 -3.45 0.00 0.00 179.45 177.73 1x66 h GLU 67 N 0.51 -0.70 -0.34 1.90 4.39 -1.98 0.74 114.58 119.10 1x66 h GLU 67 Ca 0.52 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.36 1x66 h GLU 67 Cb 1.14 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1x66 h GLU 67 CO -0.25 -0.46 0.30 -0.44 -1.16 0.00 0.00 179.01 177.00 1x66 h ASP 68 N -1.19 0.00 0.50 1.42 3.32 -1.82 -0.08 116.42 118.57 1x66 h ASP 68 Ca -0.07 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.68 1x66 h ASP 68 Cb 0.57 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 1x66 h ASP 68 CO 0.12 0.00 -1.39 -0.26 -1.72 0.00 0.00 179.24 175.99 1x66 h PHE 69 N 0.00 0.57 0.00 4.55 0.04 -0.60 -3.26 116.94 118.25 1x66 h PHE 69 Ca 0.16 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1x66 h PHE 69 Cb 0.76 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.88 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 0.09 0.00 -0.26 1.54 3.38 0.10 0.24 115.31 120.40 1x66 h LEU 70 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1x66 h LEU 70 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 1x66 h LEU 70 CO 0.20 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.27 1x66 n ARG 71 N -2.89 1.18 0.00 1.13 1.74 -0.71 -4.04 116.66 113.06 1x66 n ARG 71 Ca 0.01 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 1x66 n ARG 71 Cb 0.27 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.63 1.96 -2.44 7.54 0.00 -0.76 -5.03 120.51 121.16 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 0.19 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 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 2.07 1.05 0.00 -1.32 0.79 -0.10 115.64 116.73 1x66 s THR 73 Ca 0.00 -2.06 -0.12 0.00 -1.21 0.00 0.00 61.69 58.30 1x66 s THR 73 Cb 0.00 -2.02 0.22 0.00 -1.51 0.00 0.00 72.50 69.19 1x66 s THR 73 CO 0.00 -0.31 1.07 0.28 -2.21 0.00 0.00 174.62 173.45 1x66 s THR 74 N -2.12 2.14 0.10 5.08 -1.32 -1.24 -4.05 115.64 114.23 1x66 s THR 74 Ca 0.20 0.05 -0.24 0.00 -1.21 0.00 0.00 61.69 60.49 1x66 s THR 74 Cb -0.06 -2.18 -0.11 0.00 -1.51 0.00 0.00 72.50 68.64 1x66 s THR 74 CO 0.09 -0.06 1.70 0.25 -2.21 0.00 0.00 174.62 174.39 1x66 h LEU 75 N -2.24 -0.25 -0.47 9.08 5.85 -1.94 0.14 115.31 125.48 1x66 h LEU 75 Ca -0.55 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.30 1x66 h LEU 75 Cb 1.31 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.35 1x66 h LEU 75 CO 0.49 -0.14 -0.18 0.22 -0.34 0.00 0.00 178.44 178.49 1x66 h TYR 76 N -0.18 -0.44 -0.32 1.25 5.03 -1.99 0.22 116.97 120.55 1x66 h TYR 76 Ca 0.02 0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.29 1x66 h TYR 76 Cb 0.20 0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.73 1x66 h TYR 76 CO -0.14 -0.27 -0.16 -0.91 -1.32 0.00 0.00 178.16 175.36 1x66 h ASN 77 N -0.08 0.56 -0.23 -2.11 2.35 -1.86 -2.61 115.58 111.61 1x66 h ASN 77 Ca 0.22 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1x66 h ASN 77 Cb 0.42 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1x66 h ASN 77 CO -0.52 0.75 0.16 0.74 -1.65 0.00 0.00 177.43 176.90 1x66 h THR 78 N 0.52 0.96 0.01 2.81 2.02 0.13 -0.96 112.91 118.39 1x66 h THR 78 Ca 0.09 -0.05 -0.25 0.00 0.77 0.00 0.00 66.41 66.97 1x66 h THR 78 Cb 0.58 0.81 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1x66 h THR 78 CO 0.04 0.02 -1.02 -0.33 0.37 0.00 0.00 175.52 174.61 1x66 h GLU 79 N 0.13 0.59 0.54 6.66 5.08 -0.92 -2.83 114.58 123.83 1x66 h GLU 79 Ca 0.10 -0.64 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1x66 h GLU 79 Cb 0.24 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1x66 h GLU 79 CO -0.01 1.25 -0.26 0.28 -1.00 0.00 0.00 179.01 179.26 1x66 h VAL 80 N 0.33 0.26 -0.12 3.13 2.07 -1.19 -1.06 116.25 119.67 1x66 h VAL 80 Ca -0.11 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1x66 h VAL 80 Cb 1.66 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1x66 h VAL 80 CO 0.19 0.04 -0.31 -0.07 0.02 0.00 0.00 177.57 177.45 1x66 h LEU 81 N -1.06 -0.95 -0.57 2.57 3.38 -1.35 0.27 115.31 117.60 1x66 h LEU 81 Ca -0.07 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1x66 h LEU 81 Cb 0.63 0.40 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1x66 h LEU 81 CO 0.12 -0.35 0.24 -0.07 0.09 0.00 0.00 178.44 178.47 1x66 h LEU 82 N -0.39 0.28 -0.56 1.67 -0.00 -1.57 0.12 115.31 114.86 1x66 h LEU 82 Ca 0.09 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1x66 h LEU 82 Cb 0.53 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.19 1x66 h LEU 82 CO -0.34 0.18 0.31 0.28 -0.00 0.00 0.00 178.44 178.88 1x66 h SER 83 N 0.45 0.69 0.81 -0.43 0.02 -0.35 0.17 113.55 114.91 1x66 h SER 83 Ca 0.28 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1x66 h SER 83 Cb 0.28 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.66 1x66 h SER 83 CO -0.25 0.58 -0.39 -0.74 -1.14 0.00 0.00 176.83 174.89 1x66 h HIS 84 N 0.75 -1.01 -0.55 3.45 -0.00 0.28 -3.02 115.15 115.05 1x66 h HIS 84 Ca 0.20 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.64 1x66 h HIS 84 Cb 0.04 0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.75 1x66 h HIS 84 CO -0.02 -0.63 0.37 1.25 -0.00 0.00 0.00 177.93 178.91 1x66 h LEU 85 N -1.28 0.28 -0.68 0.26 5.85 -0.79 -1.66 115.31 117.30 1x66 h LEU 85 Ca -0.11 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.73 1x66 h LEU 85 Cb 0.83 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 1x66 h LEU 85 CO 0.18 0.17 0.25 -1.28 -0.34 0.00 0.00 178.44 177.42 1x66 h SER 86 N 0.32 0.22 0.23 1.25 0.87 -0.53 0.26 113.55 116.16 1x66 h SER 86 Ca 0.26 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1x66 h SER 86 Cb 0.59 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1x66 h SER 86 CO -0.06 0.10 -0.11 0.22 -0.53 0.00 0.00 176.83 176.45 1x66 h TYR 87 N 0.41 -0.28 -0.68 2.24 3.20 -1.25 -2.26 116.97 118.34 1x66 h TYR 87 Ca 0.36 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.42 1x66 h TYR 87 Cb 0.51 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1x66 h TYR 87 CO -0.18 0.10 0.52 -0.07 -1.64 0.00 0.00 178.16 176.89 1x66 h LEU 88 N -0.86 0.00 -0.03 2.82 4.07 -1.22 0.26 115.31 120.34 1x66 h LEU 88 Ca -0.03 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.69 1x66 h LEU 88 Cb 0.51 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1x66 h LEU 88 CO 0.05 0.00 -1.07 0.03 -1.08 0.00 0.00 178.44 176.37 1x66 h ARG 89 N 0.00 0.19 -1.00 1.13 3.08 -0.45 -3.27 114.38 114.07 1x66 h ARG 89 Ca 0.32 -0.28 -0.60 0.00 0.07 0.00 0.00 59.98 59.49 1x66 h ARG 89 Cb 1.36 0.10 -0.30 0.00 0.08 0.00 0.00 29.97 31.21 1x66 h ARG 89 CO -0.00 1.09 0.77 0.39 -1.07 0.00 0.00 179.97 181.15 1x66 n GLU 90 N -3.54 2.48 -3.18 0.04 -0.58 0.85 -4.81 120.64 111.91 1x66 n GLU 90 Ca -0.05 -3.16 0.05 0.00 -0.42 0.00 0.00 57.16 53.58 1x66 n GLU 90 Cb 0.93 -2.24 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.58 -0.38 0.00 1.62 0.15 -0.80 -4.98 113.70 107.73 1x66 s SER 91 Ca 0.61 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1x66 s SER 91 Cb 0.50 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 1x66 s SER 91 CO 0.05 -0.07 0.00 -1.54 1.20 0.00 0.00 173.24 172.88 1x66 n SER 92 N 5.32 4.58 -0.09 5.45 3.41 -1.26 -4.38 113.62 126.65 1x66 n SER 92 Ca -0.08 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.35 1x66 n SER 92 Cb 0.54 0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 1x66 n SER 92 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x66 n SER 93 N -2.20 1.50 -0.94 4.04 3.41 -1.26 -4.80 113.62 113.37 1x66 n SER 93 Ca 0.00 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1x66 n SER 93 Cb 0.50 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 1x66 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x66 n GLY 94 N 1.77 -2.49 3.76 5.00 0.00 -1.26 -4.83 105.19 107.13 1x66 n GLY 94 Ca -0.34 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.95 4.44 0.54 1.61 0.04 -1.26 -4.82 135.00 132.60 1x66 s PRO 95 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x66 s PRO 95 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1x66 s PRO 95 CO 0.00 -0.11 0.00 0.45 0.04 0.00 0.00 177.00 177.38 1x66 n SER 96 N 1.55 -7.35 -3.11 6.66 2.88 -1.26 -4.93 113.62 108.05 1x66 n SER 96 Ca 0.02 1.19 0.03 0.00 -1.33 0.00 0.00 58.87 58.78 1x66 n SER 96 Cb 0.43 -3.34 -0.00 0.00 -0.75 0.00 0.00 64.21 60.55 1x66 n SER 96 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x66 s SER 97 N -6.24 -1.13 0.00 -3.46 0.15 -1.26 -5.08 113.70 96.68 1x66 s SER 97 Ca 0.00 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x66 s SER 97 Cb 0.00 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 1x66 s SER 97 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87