#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2t h GLN 1 N 0.00 0.08 0.00 2.12 4.15 -2.02 -3.40 115.11 116.04 1b2t h GLN 1 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1b2t h GLN 1 Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1b2t h GLN 1 CO 0.00 0.05 0.00 -2.39 -1.93 0.00 0.00 178.83 174.56 1b2t n HIS 2 N -5.16 0.00 0.00 3.99 1.44 -1.26 -5.05 115.22 109.18 1b2t n HIS 2 Ca 0.37 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.08 1b2t n HIS 2 Cb 1.23 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.34 1b2t n HIS 2 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1b2t n HIS 3 N 0.00 0.00 -1.52 -1.40 -0.00 -1.26 -4.97 115.22 106.06 1b2t n HIS 3 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 1b2t n HIS 3 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.19 1b2t n HIS 3 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1b2t n GLY 4 N 0.00 5.04 2.96 1.57 0.00 -1.26 -4.89 105.19 108.61 1b2t n GLY 4 Ca 0.00 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 1b2t n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b2t s VAL 5 N -3.23 2.87 0.00 1.61 0.11 -1.26 -4.82 120.40 115.67 1b2t s VAL 5 Ca 0.40 -3.51 0.00 0.00 -2.93 0.00 0.00 61.98 55.94 1b2t s VAL 5 Cb 0.38 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1b2t s VAL 5 CO -0.04 -0.87 0.00 0.35 -3.33 0.00 0.00 175.10 171.22 1b2t n THR 6 N 2.88 0.00 0.00 5.04 -2.24 -1.26 -5.07 114.28 113.63 1b2t n THR 6 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1b2t n THR 6 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1b2t n THR 6 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1b2t n LYS 7 N 0.00 0.00 -1.57 -0.78 4.81 -1.26 -5.13 118.16 114.23 1b2t n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1b2t n LYS 7 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b2t n ASN 9 N -0.02 -0.08 -3.75 0.00 6.94 -1.26 -3.82 115.26 113.26 1b2t n ASN 9 Ca 0.00 1.51 -0.27 0.00 -0.02 0.00 0.00 54.58 55.80 1b2t n ASN 9 Cb 0.00 -0.56 -0.17 0.00 -2.36 0.00 0.00 39.78 36.69 1b2t n ASN 9 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1b2t s ILE 10 N -5.84 0.56 -0.26 1.53 2.07 -1.26 -5.12 121.20 112.89 1b2t s ILE 10 Ca -0.11 -0.49 -0.07 0.00 -1.41 0.00 0.00 60.65 58.56 1b2t s ILE 10 Cb 0.26 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.83 1b2t s ILE 10 CO 0.70 -0.13 0.06 0.28 -1.91 0.00 0.00 174.94 173.94 1b2t s THR 11 N 1.85 4.17 -1.34 4.00 -1.32 -1.25 -4.74 115.64 117.01 1b2t s THR 11 Ca -0.00 -0.30 -0.16 0.00 -1.21 0.00 0.00 61.69 60.02 1b2t s THR 11 Cb -0.16 -2.98 0.03 0.00 -1.51 0.00 0.00 72.50 67.87 1b2t s THR 11 CO -0.08 0.29 2.05 0.00 -2.21 0.00 0.00 174.62 174.68 1b2t h SER 13 N 6.76 0.11 -4.60 0.00 0.02 -1.92 -1.04 113.55 112.87 1b2t h SER 13 Ca 0.51 -0.68 -0.48 0.00 -0.84 0.00 0.00 61.79 60.30 1b2t h SER 13 Cb 0.72 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.12 1b2t h SER 13 CO 1.75 0.77 -0.41 1.17 -1.14 0.00 0.00 176.83 178.97 1b2t n LYS 14 N -4.67 0.57 -4.61 3.45 3.00 -1.26 -4.88 118.16 109.76 1b2t n LYS 14 Ca -0.09 -3.04 -0.33 0.00 -0.00 0.00 0.00 58.31 54.85 1b2t n LYS 14 Cb 0.39 1.79 -0.15 0.00 0.00 0.00 0.00 35.03 37.06 1b2t n LYS 14 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1b2t s MET 15 N -3.35 3.33 0.05 1.64 -1.94 -1.26 -4.62 119.30 113.15 1b2t s MET 15 Ca 0.21 -0.70 -0.01 0.00 -1.71 0.00 0.00 55.69 53.48 1b2t s MET 15 Cb 0.01 -2.67 0.01 0.00 2.01 0.00 0.00 34.83 34.20 1b2t s MET 15 CO 0.15 0.11 0.05 -2.37 -0.01 0.00 0.00 175.02 172.94 1b2t n THR 16 N 3.83 0.00 -3.81 2.05 5.66 -1.19 -5.04 114.28 115.78 1b2t n THR 16 Ca -0.18 -0.02 -0.22 0.00 -3.05 0.00 0.00 64.05 60.57 1b2t n THR 16 Cb 0.52 -1.01 -0.05 0.00 -1.55 0.00 0.00 70.33 68.24 1b2t n THR 16 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1b2t s SER 17 N -1.63 4.88 0.35 1.09 1.04 -1.26 -4.97 113.70 113.20 1b2t s SER 17 Ca 0.03 -0.80 -0.24 0.00 0.48 0.00 0.00 55.95 55.43 1b2t s SER 17 Cb -0.00 -0.62 -0.15 0.00 0.10 0.00 0.00 66.02 65.34 1b2t s SER 17 CO 0.02 -0.54 0.41 1.17 0.98 0.00 0.00 173.24 175.29 1b2t n LYS 18 N -1.39 0.28 -3.80 4.02 3.00 -1.26 -4.99 118.16 114.02 1b2t n LYS 18 Ca 0.01 0.10 -0.14 0.00 -0.00 0.00 0.00 58.31 58.28 1b2t n LYS 18 Cb 0.62 -1.22 -0.15 0.00 0.00 0.00 0.00 35.03 34.28 1b2t n LYS 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1b2t s ILE 19 N -1.40 -0.04 -0.31 3.15 1.01 -1.26 -5.10 121.20 117.25 1b2t s ILE 19 Ca 0.62 0.13 -0.36 0.00 0.00 0.00 0.00 60.65 61.04 1b2t s ILE 19 Cb -0.70 -0.10 -0.12 0.00 0.01 0.00 0.00 42.46 41.55 1b2t s ILE 19 CO 0.59 0.06 2.10 -2.65 0.00 0.00 0.00 174.94 175.04 1b2t n PRO 20 N 3.79 1.19 0.16 2.79 -0.02 -1.26 -4.79 135.00 136.85 1b2t n PRO 20 Ca -0.22 0.36 0.19 0.00 -2.02 0.00 0.00 63.50 61.80 1b2t n PRO 20 Cb 0.54 -2.43 0.77 0.00 -0.02 0.00 0.00 33.50 32.36 1b2t n PRO 20 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1b2t h VAL 21 N 6.69 0.28 0.00 -1.45 3.04 -1.95 0.37 116.25 123.24 1b2t h VAL 21 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1b2t h VAL 21 Cb 1.32 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1b2t h VAL 21 CO 1.01 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.57 1b2t n ALA 22 N -2.22 1.48 0.02 3.17 0.00 -1.26 -1.53 120.51 120.16 1b2t n ALA 22 Ca 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1b2t n ALA 22 Cb 0.55 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 1b2t n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b2t n LEU 23 N -1.41 0.02 -4.73 0.00 4.77 0.13 -4.96 117.00 110.82 1b2t n LEU 23 Ca 0.03 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1b2t n LEU 23 Cb 0.09 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1b2t n LEU 23 CO 0.08 0.01 0.76 -0.76 -1.33 0.00 0.00 177.39 176.14 1b2t s LEU 24 N -4.13 4.47 0.00 2.23 1.43 -0.58 -1.82 118.68 120.28 1b2t s LEU 24 Ca -0.06 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1b2t s LEU 24 Cb 0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1b2t s LEU 24 CO 0.70 -0.20 0.00 2.30 0.23 0.00 0.00 176.35 179.38 1b2t n ILE 25 N 2.74 0.00 -3.82 -0.59 -5.35 -0.43 -4.86 119.36 107.04 1b2t n ILE 25 Ca 0.03 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.39 1b2t n ILE 25 Cb 0.47 -0.85 -0.09 0.00 -1.74 0.00 0.00 39.64 37.44 1b2t n ILE 25 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1b2t s HIS 26 N -1.87 -0.05 -0.04 4.28 2.46 -0.93 -5.05 115.29 114.08 1b2t s HIS 26 Ca 0.00 0.03 0.02 0.00 0.47 0.00 0.00 55.06 55.58 1b2t s HIS 26 Cb 0.00 0.01 0.01 0.00 -0.13 0.00 0.00 32.58 32.48 1b2t s HIS 26 CO 0.00 -0.34 -0.08 1.52 -2.47 0.00 0.00 174.74 173.37 1b2t s TYR 27 N -1.40 1.03 0.46 3.88 1.13 -1.26 -0.90 117.35 120.29 1b2t s TYR 27 Ca -0.14 -0.32 0.04 0.00 -1.41 0.00 0.00 57.07 55.25 1b2t s TYR 27 Cb -0.06 -0.79 -0.05 0.00 -1.10 0.00 0.00 41.96 39.96 1b2t s TYR 27 CO 0.03 -0.19 0.02 -0.65 -2.51 0.00 0.00 175.55 172.25 1b2t s GLN 28 N 0.59 2.08 0.00 -3.49 -1.52 0.54 -4.95 119.66 112.92 1b2t s GLN 28 Ca -0.10 -2.24 0.01 0.00 -1.95 0.00 0.00 55.36 51.08 1b2t s GLN 28 Cb -0.13 -1.60 -0.04 0.00 -0.22 0.00 0.00 33.01 31.02 1b2t s GLN 28 CO 0.01 -0.20 0.02 -1.14 -0.25 0.00 0.00 175.29 173.73 1b2t s GLN 29 N -3.80 2.84 0.69 2.91 2.00 -1.26 -0.06 119.66 122.97 1b2t s GLN 29 Ca 0.21 -0.59 -0.11 0.00 -2.00 0.00 0.00 55.36 52.87 1b2t s GLN 29 Cb 0.06 -2.71 0.00 0.00 0.80 0.00 0.00 33.01 31.16 1b2t s GLN 29 CO 0.11 0.63 1.07 1.21 -0.50 0.00 0.00 175.29 177.81 1b2t s ASN 30 N -1.64 5.56 0.09 6.67 3.84 -0.70 -4.81 114.94 123.95 1b2t s ASN 30 Ca 0.21 1.33 0.02 0.00 0.21 0.00 0.00 52.86 54.62 1b2t s ASN 30 Cb -0.12 -2.22 -0.04 0.00 -0.55 0.00 0.00 41.25 38.33 1b2t s ASN 30 CO 0.11 -1.29 0.19 -1.10 -2.79 0.00 0.00 177.10 172.22 1b2t s GLN 31 N -5.22 3.27 0.00 0.43 -0.21 -1.26 -4.81 119.66 111.86 1b2t s GLN 31 Ca 0.57 -0.57 0.23 0.00 0.02 0.00 0.00 55.36 55.61 1b2t s GLN 31 Cb -0.12 -2.92 1.33 0.00 1.00 0.00 0.00 33.01 32.31 1b2t s GLN 31 CO 0.53 0.57 1.73 0.00 -2.12 0.00 0.00 175.29 176.00 1b2t n ALA 32 N 0.07 2.33 0.38 6.09 0.00 -1.26 -2.35 120.51 125.77 1b2t n ALA 32 Ca -0.07 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.29 1b2t n ALA 32 Cb 0.52 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 1b2t n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b2t n SER 33 N -1.03 1.08 -4.26 0.00 3.41 -1.26 -4.92 113.62 106.63 1b2t n SER 33 Ca 0.16 -0.53 -0.35 0.00 -0.26 0.00 0.00 58.87 57.89 1b2t n SER 33 Cb 0.09 1.18 -0.14 0.00 -0.26 0.00 0.00 64.21 65.07 1b2t n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b2t n GLY 35 N 4.75 1.04 3.86 0.00 0.00 -1.26 -4.10 105.19 109.49 1b2t n GLY 35 Ca -0.18 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1b2t n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b2t s LYS 36 N 0.00 3.89 -0.94 1.61 3.01 -0.40 -4.80 119.74 122.11 1b2t s LYS 36 Ca 0.00 0.37 -0.25 0.00 -1.01 0.00 0.00 55.97 55.08 1b2t s LYS 36 Cb 0.00 -2.83 -0.11 0.00 -1.01 0.00 0.00 37.83 33.88 1b2t s LYS 36 CO 0.00 0.43 2.13 0.50 0.51 0.00 0.00 175.35 178.91 1b2t s ARG 37 N -2.28 2.00 0.00 1.68 3.52 -1.26 -4.58 118.95 118.03 1b2t s ARG 37 Ca 0.41 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 1b2t s ARG 37 Cb -0.13 -4.99 0.00 0.00 -1.56 0.00 0.00 34.95 28.27 1b2t s ARG 37 CO 0.20 -4.18 0.00 0.00 -0.81 0.00 0.00 175.30 170.50 1b2t n ALA 38 N 16.55 0.00 -2.63 6.12 0.00 -1.26 -4.95 120.51 134.35 1b2t n ALA 38 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 1b2t n ALA 38 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1b2t n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b2t s ILE 39 N 0.80 3.75 -0.22 0.00 -1.09 0.43 -1.73 121.20 123.14 1b2t s ILE 39 Ca 0.00 -0.99 -0.07 0.00 -2.23 0.00 0.00 60.65 57.35 1b2t s ILE 39 Cb 0.00 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.12 1b2t s ILE 39 CO 0.00 0.20 0.07 -0.63 -1.23 0.00 0.00 174.94 173.35 1b2t s ILE 40 N -1.19 4.50 -0.25 2.92 -1.09 0.91 -0.94 121.20 126.06 1b2t s ILE 40 Ca 0.22 -0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.49 1b2t s ILE 40 Cb -0.11 -3.07 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1b2t s ILE 40 CO 0.14 0.38 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.45 1b2t s LEU 41 N 1.13 3.25 -0.16 2.97 1.43 -0.77 -0.34 118.68 126.20 1b2t s LEU 41 Ca 0.04 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 1b2t s LEU 41 Cb -0.14 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1b2t s LEU 41 CO 0.03 -0.11 -0.08 -0.70 0.23 0.00 0.00 176.35 175.73 1b2t s GLU 42 N 1.41 3.50 0.32 1.70 2.12 -0.08 -1.93 118.70 125.75 1b2t s GLU 42 Ca 0.02 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.82 1b2t s GLU 42 Cb -0.16 -2.81 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 1b2t s GLU 42 CO -0.03 0.15 0.33 0.95 -0.54 0.00 0.00 175.26 176.13 1b2t s THR 43 N 0.55 3.83 0.13 -1.70 -4.23 -0.72 -1.32 115.64 112.19 1b2t s THR 43 Ca -0.05 -1.26 0.21 0.00 -1.18 0.00 0.00 61.69 59.41 1b2t s THR 43 Cb -0.15 -3.29 0.21 0.00 1.34 0.00 0.00 72.50 70.61 1b2t s THR 43 CO 0.03 -0.19 1.61 0.08 -0.54 0.00 0.00 174.62 175.61 1b2t h ARG 44 N 1.17 0.00 -0.88 3.99 0.11 -1.69 0.11 114.38 117.19 1b2t h ARG 44 Ca -0.46 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.09 1b2t h ARG 44 Cb 1.25 0.00 -0.28 0.00 1.11 0.00 0.00 29.97 32.05 1b2t h ARG 44 CO 0.57 0.00 0.48 1.04 0.10 0.00 0.00 179.97 182.17 1b2t n GLN 45 N -2.35 2.50 -3.91 0.08 6.02 -1.26 -4.91 117.38 113.55 1b2t n GLN 45 Ca -0.01 -3.27 -0.26 0.00 -0.01 0.00 0.00 57.00 53.45 1b2t n GLN 45 Cb 0.23 -2.18 -0.01 0.00 1.02 0.00 0.00 30.24 29.30 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1b2t n HIS 46 N -1.01 -1.69 -3.48 1.08 8.25 0.37 -4.92 115.22 113.82 1b2t n HIS 46 Ca 0.56 0.72 -0.42 0.00 -0.26 0.00 0.00 57.72 58.31 1b2t n HIS 46 Cb 1.10 -3.76 -0.07 0.00 1.12 0.00 0.00 29.99 28.37 1b2t n HIS 46 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1b2t s ARG 47 N -6.46 2.68 -0.33 -0.41 3.52 -1.20 -4.86 118.95 111.89 1b2t s ARG 47 Ca 0.05 -1.83 -0.09 0.00 -0.13 0.00 0.00 55.73 53.73 1b2t s ARG 47 Cb -0.02 -4.05 0.01 0.00 -1.56 0.00 0.00 34.95 29.33 1b2t s ARG 47 CO 0.88 -1.24 0.16 -0.51 -0.81 0.00 0.00 175.30 173.78 1b2t s LEU 48 N 1.29 4.30 0.03 -0.88 1.43 -1.23 -1.75 118.68 121.88 1b2t s LEU 48 Ca 0.06 -0.76 0.05 0.00 -1.03 0.00 0.00 54.13 52.45 1b2t s LEU 48 Cb -0.26 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1b2t s LEU 48 CO -0.00 -0.27 -0.13 -0.36 0.23 0.00 0.00 176.35 175.81 1b2t s PHE 49 N 1.56 1.18 -0.56 0.29 0.40 -0.81 -4.94 117.98 115.09 1b2t s PHE 49 Ca 0.03 -0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 55.79 1b2t s PHE 49 Cb -0.18 -0.70 0.05 0.00 0.51 0.00 0.00 43.02 42.69 1b2t s PHE 49 CO 0.06 0.02 0.91 0.00 0.70 0.00 0.00 175.22 176.91 1b2t s ALA 51 N 3.82 3.07 0.03 0.00 0.00 -0.12 -3.17 121.76 125.40 1b2t s ALA 51 Ca 0.27 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 50.99 1b2t s ALA 51 Cb -0.14 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1b2t s ALA 51 CO 0.17 0.61 0.90 0.34 0.00 0.00 0.00 175.76 177.77 1b2t s ASP 52 N -1.23 7.33 0.21 0.00 2.15 -1.26 -0.43 116.67 123.44 1b2t s ASP 52 Ca 0.16 1.60 -0.10 0.00 0.43 0.00 0.00 52.55 54.64 1b2t s ASP 52 Cb -0.11 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.28 1b2t s ASP 52 CO 0.06 -0.13 1.69 -0.65 -0.17 0.00 0.00 175.17 175.97 1b2t h PRO 53 N 6.22 0.21 -1.19 4.34 0.11 -1.93 -1.23 132.00 138.52 1b2t h PRO 53 Ca -0.42 -0.01 0.44 0.00 0.11 0.00 0.00 66.00 66.12 1b2t h PRO 53 Cb 1.21 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 1b2t h PRO 53 CO 0.73 0.14 0.72 1.63 -0.21 0.00 0.00 178.00 181.01 1b2t n LYS 54 N -5.17 -0.04 -1.69 1.05 4.76 -1.26 -4.13 118.16 111.67 1b2t n LYS 54 Ca 0.09 1.27 -0.44 0.00 -2.87 0.00 0.00 58.31 56.36 1b2t n LYS 54 Cb 0.34 -2.41 -0.04 0.00 -1.84 0.00 0.00 35.03 31.09 1b2t n LYS 54 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1b2t n GLU 55 N -4.89 2.50 0.07 1.97 1.02 -0.47 -4.90 120.64 115.94 1b2t n GLU 55 Ca 0.38 0.90 -0.13 0.00 -0.02 0.00 0.00 57.16 58.30 1b2t n GLU 55 Cb 1.41 -2.73 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1b2t n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1b2t h GLN 56 N 6.92 -0.08 -0.02 3.49 -0.00 -1.88 -1.56 115.11 121.98 1b2t h GLN 56 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1b2t h GLN 56 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.73 1b2t h GLN 56 CO 0.93 -0.04 0.46 0.11 0.00 0.00 0.00 178.83 180.29 1b2t h TRP 57 N -0.09 0.00 0.09 3.99 5.08 -1.92 0.24 115.95 123.34 1b2t h TRP 57 Ca -0.01 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.67 1b2t h TRP 57 Cb 0.07 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.21 1b2t h TRP 57 CO -0.07 0.00 -1.55 0.28 -1.28 0.00 0.00 178.44 175.81 1b2t h VAL 58 N 0.00 0.87 -0.49 0.12 2.07 -1.59 -2.00 116.25 115.23 1b2t h VAL 58 Ca 0.01 -2.32 -0.04 0.00 0.82 0.00 0.00 66.70 65.18 1b2t h VAL 58 Cb 0.93 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 1b2t h VAL 58 CO -0.00 0.66 0.17 0.11 0.02 0.00 0.00 177.57 178.53 1b2t h LYS 59 N -0.38 0.75 -0.08 1.57 1.57 -0.08 -1.83 116.57 118.09 1b2t h LYS 59 Ca -0.35 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.12 1b2t h LYS 59 Cb 1.72 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.92 1b2t h LYS 59 CO -0.01 0.70 -0.52 -0.44 -0.57 0.00 0.00 179.45 178.61 1b2t h ASP 60 N 0.66 0.60 -0.82 0.86 5.19 -0.85 -2.49 116.42 119.57 1b2t h ASP 60 Ca 0.16 -0.66 0.17 0.00 -0.62 0.00 0.00 57.03 56.08 1b2t h ASP 60 Cb 0.25 -0.18 -0.11 0.00 0.18 0.00 0.00 39.33 39.47 1b2t h ASP 60 CO -0.01 1.17 0.34 0.00 -3.12 0.00 0.00 179.24 177.62 1b2t h ALA 61 N 0.45 1.21 0.08 3.45 0.00 -1.24 -1.34 119.26 121.86 1b2t h ALA 61 Ca -0.04 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1b2t h ALA 61 Cb 1.18 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1b2t h ALA 61 CO 0.11 -0.26 -0.04 0.52 0.00 0.00 0.00 179.25 179.58 1b2t h MET 62 N 0.43 -0.10 -1.52 0.00 2.86 -1.33 -2.59 114.93 112.67 1b2t h MET 62 Ca 0.47 0.01 0.44 0.00 -2.06 0.00 0.00 59.70 58.56 1b2t h MET 62 Cb 0.80 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 1b2t h MET 62 CO -0.46 0.30 1.10 0.37 1.06 0.00 0.00 176.91 179.28 1b2t h GLN 63 N -0.54 0.00 0.21 1.72 4.15 -0.81 0.11 115.11 119.95 1b2t h GLN 63 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1b2t h GLN 63 Cb 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1b2t h GLN 63 CO 0.02 0.00 -0.10 1.25 -1.93 0.00 0.00 178.83 178.07 1b2t h HIS 64 N 0.00 -0.26 -1.01 3.99 2.76 -1.04 -3.29 115.15 116.30 1b2t h HIS 64 Ca 0.72 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 59.13 1b2t h HIS 64 Cb 2.90 0.09 -0.12 0.00 1.55 0.00 0.00 27.41 31.83 1b2t h HIS 64 CO 0.00 -0.09 0.61 -0.07 -1.30 0.00 0.00 177.93 177.08 1b2t h LEU 65 N -1.05 0.65 -0.84 0.26 3.38 -0.50 0.15 115.31 117.36 1b2t h LEU 65 Ca -0.03 0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.21 1b2t h LEU 65 Cb 0.29 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 1b2t h LEU 65 CO 0.05 0.10 0.43 0.44 0.09 0.00 0.00 178.44 179.56 1b2t h ASP 66 N 0.56 0.54 0.93 -0.43 3.32 -1.13 0.25 116.42 120.46 1b2t h ASP 66 Ca 0.64 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.74 1b2t h ASP 66 Cb 1.26 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1b2t h ASP 66 CO -0.45 0.24 -0.14 -0.09 -1.72 0.00 0.00 179.24 177.08 1b2t h ARG 67 N 0.64 0.00 0.26 3.56 9.65 -0.77 -1.95 114.38 125.76 1b2t h ARG 67 Ca 0.45 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.31 1b2t h ARG 67 Cb 0.60 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1b2t h ARG 67 CO -0.34 0.14 -0.12 1.96 2.80 0.00 0.00 179.97 184.41 1b2t h GLN 68 N 0.00 -0.34 -0.09 0.20 7.50 -0.25 -3.19 115.11 118.95 1b2t h GLN 68 Ca -0.00 0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.10 1b2t h GLN 68 Cb 0.65 0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.25 1b2t h GLN 68 CO 0.02 0.00 -0.26 0.00 -1.50 0.00 0.00 178.83 177.09 1b2t h ALA 69 N -0.55 1.41 -0.40 3.87 0.00 -1.40 -3.03 119.26 119.16 1b2t h ALA 69 Ca -0.04 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1b2t h ALA 69 Cb 0.49 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1b2t h ALA 69 CO 0.06 0.42 -0.00 0.00 0.00 0.00 0.00 179.25 179.72 1b2t h ALA 70 N 1.60 0.37 0.00 0.00 0.00 -1.39 1.85 119.26 121.68 1b2t h ALA 70 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b2t h ALA 70 Cb 0.54 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1b2t h ALA 70 CO 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.89 1b2t n ALA 71 N -2.57 1.18 -0.08 0.00 0.00 -1.14 -2.90 120.51 115.00 1b2t n ALA 71 Ca 0.03 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 1b2t n ALA 71 Cb 0.21 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1b2t n ALA 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1b2t n LEU 72 N -1.76 1.43 -3.76 0.00 -0.00 0.84 -5.06 117.00 108.71 1b2t n LEU 72 Ca 0.00 0.14 -0.13 0.00 -0.00 0.00 0.00 56.01 56.03 1b2t n LEU 72 Cb 0.06 -0.47 -0.11 0.00 -0.00 0.00 0.00 43.42 42.90 1b2t n LEU 72 CO 0.06 0.40 -0.01 0.42 -0.00 0.00 0.00 177.39 178.27 1b2t s THR 73 N -2.29 -0.00 1.07 1.96 -4.23 0.59 -5.12 115.64 107.63 1b2t s THR 73 Ca -0.22 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.18 1b2t s THR 73 Cb 0.08 -0.46 0.23 0.00 1.34 0.00 0.00 72.50 73.69 1b2t s THR 73 CO 0.29 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.44 1b2t s ARG 74 N 0.21 -0.20 -0.00 3.99 1.70 -1.26 -3.51 118.95 119.88 1b2t s ARG 74 Ca -0.00 1.16 0.00 0.00 -0.47 0.00 0.00 55.73 56.41 1b2t s ARG 74 Cb -0.03 -1.61 -0.00 0.00 -0.57 0.00 0.00 34.95 32.74 1b2t s ARG 74 CO 0.00 -3.34 -0.00 -1.71 -1.08 0.00 0.00 175.30 169.17 1b2t n ASN 75 N -4.68 4.50 0.00 -2.89 4.05 -1.26 -4.94 115.26 110.03 1b2t n ASN 75 Ca 0.07 -0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.10 1b2t n ASN 75 Cb 0.53 0.27 0.00 0.00 1.23 0.00 0.00 39.78 41.81 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82