#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2t n GLN 1 N 0.00 0.00 0.00 2.12 10.64 -1.26 -4.93 117.38 123.95 1b2t n GLN 1 Ca 0.00 -0.48 0.00 0.00 -1.83 0.00 0.00 57.00 54.69 1b2t n GLN 1 Cb 0.00 0.13 0.00 0.00 -0.86 0.00 0.00 30.24 29.51 1b2t n GLN 1 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1b2t n HIS 2 N 0.02 0.00 0.00 2.61 8.25 -1.26 -5.07 115.22 119.76 1b2t n HIS 2 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1b2t n HIS 2 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1b2t n HIS 2 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1b2t n HIS 3 N -2.39 0.00 1.14 4.41 1.44 -1.26 -4.95 115.22 113.61 1b2t n HIS 3 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1b2t n HIS 3 Cb 0.00 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.31 1b2t n HIS 3 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1b2t n GLY 4 N 0.00 0.02 3.26 -1.39 0.00 -1.26 -4.79 105.19 101.03 1b2t n GLY 4 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1b2t n GLY 4 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b2t s VAL 5 N -2.33 3.87 0.00 1.61 -7.23 -1.26 -4.89 120.40 110.18 1b2t s VAL 5 Ca 0.25 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1b2t s VAL 5 Cb 0.19 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1b2t s VAL 5 CO 0.47 -0.34 0.80 1.07 -0.31 0.00 0.00 175.10 176.80 1b2t n THR 6 N 4.82 0.62 -1.57 5.32 5.66 -1.26 -4.18 114.28 123.68 1b2t n THR 6 Ca -0.11 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.11 1b2t n THR 6 Cb 0.44 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 1b2t n THR 6 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1b2t n LYS 7 N -0.31 0.00 -3.32 1.09 3.00 -1.26 -4.99 118.16 112.37 1b2t n LYS 7 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1b2t n LYS 7 Cb 0.17 -1.74 -0.07 0.00 0.00 0.00 0.00 35.03 33.40 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b2t n ASN 9 N 5.35 0.19 -3.82 0.00 6.94 -1.26 -3.90 115.26 118.76 1b2t n ASN 9 Ca -0.01 1.26 -0.22 0.00 -0.02 0.00 0.00 54.58 55.59 1b2t n ASN 9 Cb 0.49 -0.58 -0.17 0.00 -2.36 0.00 0.00 39.78 37.16 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 -5.26 0.46 0.13 1.53 2.07 -1.26 -5.14 121.20 113.73 1b2t s ILE 10 Ca -0.07 0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.26 1b2t s ILE 10 Cb 0.25 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 1b2t s ILE 10 CO 0.59 0.25 -0.10 0.28 -1.91 0.00 0.00 174.94 174.04 1b2t s THR 11 N 1.60 3.27 -0.98 4.00 -1.32 -1.25 -4.85 115.64 116.11 1b2t s THR 11 Ca -0.00 -1.41 -0.02 0.00 -1.21 0.00 0.00 61.69 59.04 1b2t s THR 11 Cb -0.13 -2.55 0.28 0.00 -1.51 0.00 0.00 72.50 68.59 1b2t s THR 11 CO -0.04 0.04 1.20 0.00 -2.21 0.00 0.00 174.62 173.61 1b2t h SER 13 N 5.44 0.64 -4.66 0.00 4.64 -1.94 -2.35 113.55 115.32 1b2t h SER 13 Ca 0.19 -0.38 -0.43 0.00 -0.47 0.00 0.00 61.79 60.70 1b2t h SER 13 Cb 0.68 -0.19 -0.11 0.00 -0.31 0.00 0.00 62.40 62.48 1b2t h SER 13 CO 1.13 1.12 -0.40 0.29 -0.87 0.00 0.00 176.83 178.10 1b2t n LYS 14 N -3.92 0.47 -3.97 4.77 4.76 -1.26 -4.89 118.16 114.12 1b2t n LYS 14 Ca -0.04 -3.20 -0.22 0.00 -2.87 0.00 0.00 58.31 51.98 1b2t n LYS 14 Cb 0.66 2.71 -0.04 0.00 -1.84 0.00 0.00 35.03 36.52 1b2t n LYS 14 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1b2t s MET 15 N -3.23 2.69 0.00 1.97 -1.94 -1.26 -4.69 119.30 112.83 1b2t s MET 15 Ca 0.37 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 1b2t s MET 15 Cb 0.01 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 34.43 1b2t s MET 15 CO 0.27 0.20 0.00 -2.37 -0.01 0.00 0.00 175.02 173.10 1b2t n THR 16 N -1.25 0.00 -3.31 2.05 5.66 -1.22 -5.02 114.28 111.18 1b2t n THR 16 Ca -0.04 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.89 1b2t n THR 16 Cb 0.59 -0.41 0.01 0.00 -1.55 0.00 0.00 70.33 68.98 1b2t n THR 16 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1b2t n SER 17 N -1.16 1.13 -4.77 1.09 7.64 -1.26 -4.98 113.62 111.30 1b2t n SER 17 Ca 0.00 -1.57 -0.38 0.00 1.01 0.00 0.00 58.87 57.93 1b2t n SER 17 Cb 0.00 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 1b2t n SER 17 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1b2t s LYS 18 N -2.82 4.14 0.00 1.43 2.20 -1.26 -5.05 119.74 118.38 1b2t s LYS 18 Ca 0.15 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 1b2t s LYS 18 Cb -0.01 -2.69 -0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1b2t s LYS 18 CO 0.10 -0.23 -0.01 0.42 -0.36 0.00 0.00 175.35 175.27 1b2t s ILE 19 N -1.45 0.06 -0.07 5.43 1.01 -1.26 -5.11 121.20 119.82 1b2t s ILE 19 Ca 0.56 -0.06 -0.33 0.00 0.00 0.00 0.00 60.65 60.82 1b2t s ILE 19 Cb -0.29 -0.07 -0.10 0.00 0.01 0.00 0.00 42.46 42.01 1b2t s ILE 19 CO 0.36 -0.00 1.95 -0.81 0.00 0.00 0.00 174.94 176.44 1b2t n PRO 20 N 3.01 2.36 0.34 2.79 -0.04 -1.26 -4.83 135.00 137.36 1b2t n PRO 20 Ca -0.13 0.85 0.22 0.00 -0.04 0.00 0.00 63.50 64.40 1b2t n PRO 20 Cb 0.60 -2.80 1.15 0.00 -0.04 0.00 0.00 33.50 32.41 1b2t n PRO 20 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1b2t h VAL 21 N 5.69 0.02 0.00 0.52 3.04 -1.96 -0.74 116.25 122.81 1b2t h VAL 21 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1b2t h VAL 21 Cb 1.26 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1b2t h VAL 21 CO 0.95 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.51 1b2t n ALA 22 N -2.06 1.30 -0.01 3.17 0.00 -1.26 -1.41 120.51 120.24 1b2t n ALA 22 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1b2t n ALA 22 Cb 0.12 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.50 0.00 -4.73 0.00 4.77 -0.29 -4.93 117.00 110.32 1b2t n LEU 23 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1b2t n LEU 23 Cb 0.08 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1b2t n LEU 23 CO 0.06 0.02 1.06 -0.76 -1.33 0.00 0.00 177.39 176.44 1b2t s LEU 24 N -4.18 4.39 -0.04 2.23 1.43 -0.50 0.38 118.68 122.40 1b2t s LEU 24 Ca -0.06 2.48 0.02 0.00 -1.03 0.00 0.00 54.13 55.54 1b2t s LEU 24 Cb 0.10 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1b2t s LEU 24 CO 0.68 -0.63 -0.01 2.30 0.23 0.00 0.00 176.35 178.91 1b2t n ILE 25 N 2.99 0.25 -3.57 -0.59 -5.35 0.17 -4.77 119.36 108.49 1b2t n ILE 25 Ca 0.08 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.32 1b2t n ILE 25 Cb 0.41 -0.78 -0.06 0.00 -1.74 0.00 0.00 39.64 37.48 1b2t n ILE 25 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1b2t s HIS 26 N -2.09 -0.45 0.02 4.28 3.76 -0.98 -5.03 115.29 114.80 1b2t s HIS 26 Ca -0.04 0.81 0.07 0.00 -0.15 0.00 0.00 55.06 55.75 1b2t s HIS 26 Cb 0.01 0.43 -0.03 0.00 1.11 0.00 0.00 32.58 34.10 1b2t s HIS 26 CO 0.12 -0.39 -0.20 1.52 -0.85 0.00 0.00 174.74 174.94 1b2t s TYR 27 N -0.98 2.50 0.40 1.40 -0.85 -1.26 0.17 117.35 118.73 1b2t s TYR 27 Ca -0.03 -0.30 0.08 0.00 -0.52 0.00 0.00 57.07 56.29 1b2t s TYR 27 Cb -0.01 -1.48 -0.04 0.00 0.38 0.00 0.00 41.96 40.81 1b2t s TYR 27 CO 0.03 0.18 0.22 -0.65 -1.52 0.00 0.00 175.55 173.81 1b2t s GLN 28 N -1.18 2.32 -0.35 -3.49 -1.52 -0.33 -4.95 119.66 110.16 1b2t s GLN 28 Ca 0.13 -1.72 -0.04 0.00 -1.95 0.00 0.00 55.36 51.78 1b2t s GLN 28 Cb -0.10 -2.11 0.07 0.00 -0.22 0.00 0.00 33.01 30.64 1b2t s GLN 28 CO 0.03 -0.09 0.11 -1.14 -0.25 0.00 0.00 175.29 173.94 1b2t s GLN 29 N -3.95 2.37 0.71 2.91 0.74 -1.26 -1.45 119.66 119.74 1b2t s GLN 29 Ca 0.42 -1.42 -0.16 0.00 0.05 0.00 0.00 55.36 54.25 1b2t s GLN 29 Cb 0.01 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1b2t s GLN 29 CO 0.24 -0.79 0.96 -1.71 -0.55 0.00 0.00 175.29 173.43 1b2t n ASN 30 N 4.69 0.47 -4.78 6.67 5.15 -1.25 -4.96 115.26 121.25 1b2t n ASN 30 Ca -0.09 0.67 -0.38 0.00 -0.60 0.00 0.00 54.58 54.18 1b2t n ASN 30 Cb 0.43 -1.40 -0.06 0.00 -0.53 0.00 0.00 39.78 38.22 1b2t n ASN 30 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1b2t s GLN 31 N -3.29 4.52 0.56 1.20 -1.52 -1.26 -4.85 119.66 115.01 1b2t s GLN 31 Ca 0.73 1.15 0.32 0.00 -1.95 0.00 0.00 55.36 55.61 1b2t s GLN 31 Cb -0.35 -3.10 1.64 0.00 -0.22 0.00 0.00 33.01 30.98 1b2t s GLN 31 CO 0.50 0.48 2.12 0.00 -0.25 0.00 0.00 175.29 178.14 1b2t h ALA 32 N 3.90 1.17 -0.00 6.09 0.00 -1.93 -0.76 119.26 127.74 1b2t h ALA 32 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1b2t h ALA 32 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1b2t h ALA 32 CO 0.66 0.09 -0.17 -1.13 0.00 0.00 0.00 179.25 178.70 1b2t n SER 33 N -3.42 0.18 -4.51 0.00 3.41 -1.26 -4.79 113.62 103.24 1b2t n SER 33 Ca -0.02 0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 58.47 1b2t n SER 33 Cb 0.22 -0.24 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 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 2.80 1.09 3.89 0.00 0.00 -1.26 -4.58 105.19 107.13 1b2t n GLY 35 Ca -0.18 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 3.01 -0.99 1.61 3.01 -0.88 -4.91 119.74 120.58 1b2t s LYS 36 Ca 0.00 -1.05 -0.24 0.00 -1.01 0.00 0.00 55.97 53.66 1b2t s LYS 36 Cb 0.00 -2.65 -0.09 0.00 -1.01 0.00 0.00 37.83 34.08 1b2t s LYS 36 CO 0.00 0.26 2.02 -0.98 0.51 0.00 0.00 175.35 177.16 1b2t s ARG 37 N -3.98 2.26 0.00 1.68 1.70 -1.26 -4.65 118.95 114.71 1b2t s ARG 37 Ca 0.38 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.17 1b2t s ARG 37 Cb -0.08 -5.07 0.00 0.00 -0.57 0.00 0.00 34.95 29.23 1b2t s ARG 37 CO 0.27 -3.93 0.00 0.00 -1.08 0.00 0.00 175.30 170.57 1b2t n ALA 38 N 15.33 0.00 -2.52 7.88 0.00 -1.26 -4.80 120.51 135.14 1b2t n ALA 38 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 1b2t n ALA 38 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.54 1.70 -0.08 0.00 -1.09 -0.26 -3.74 121.20 117.19 1b2t s ILE 39 Ca 0.00 -1.65 -0.03 0.00 -2.23 0.00 0.00 60.65 56.75 1b2t s ILE 39 Cb 0.00 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 1b2t s ILE 39 CO 0.00 -0.16 0.05 -0.63 -1.23 0.00 0.00 174.94 172.97 1b2t s ILE 40 N -1.46 4.68 -0.14 2.92 -1.09 -0.53 -0.60 121.20 124.98 1b2t s ILE 40 Ca 0.09 -0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 1b2t s ILE 40 Cb -0.09 -3.02 0.03 0.00 -1.58 0.00 0.00 42.46 37.80 1b2t s ILE 40 CO 0.05 0.56 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.46 1b2t s LEU 41 N -1.09 1.55 -0.16 2.97 1.43 -0.36 -1.19 118.68 121.83 1b2t s LEU 41 Ca 0.16 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1b2t s LEU 41 Cb -0.12 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 1b2t s LEU 41 CO 0.05 -0.11 0.02 -0.70 0.23 0.00 0.00 176.35 175.83 1b2t s GLU 42 N 1.59 3.75 0.39 1.70 2.12 0.13 -1.84 118.70 126.53 1b2t s GLU 42 Ca 0.03 -0.41 0.08 0.00 0.36 0.00 0.00 54.97 55.03 1b2t s GLU 42 Cb -0.14 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 1b2t s GLU 42 CO -0.09 0.32 0.42 0.95 -0.54 0.00 0.00 175.26 176.32 1b2t s THR 43 N 0.20 3.07 -0.39 -1.70 -4.23 -0.61 0.44 115.64 112.43 1b2t s THR 43 Ca 0.01 -1.23 0.17 0.00 -1.18 0.00 0.00 61.69 59.47 1b2t s THR 43 Cb -0.13 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.80 1b2t s THR 43 CO 0.01 -0.05 1.52 0.54 -0.54 0.00 0.00 174.62 176.10 1b2t n ARG 44 N -1.60 0.11 -0.74 3.99 1.74 0.16 -0.27 116.66 120.05 1b2t n ARG 44 Ca 0.03 0.60 0.07 0.00 -0.77 0.00 0.00 57.85 57.77 1b2t n ARG 44 Cb 0.60 -1.85 0.34 0.00 -1.02 0.00 0.00 32.46 30.53 1b2t n ARG 44 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1b2t n GLN 45 N -2.09 4.05 -3.35 5.56 1.13 -1.26 -4.93 117.38 116.49 1b2t n GLN 45 Ca -0.01 -3.05 -0.16 0.00 -1.94 0.00 0.00 57.00 51.84 1b2t n GLN 45 Cb 0.04 -2.11 0.08 0.00 0.11 0.00 0.00 30.24 28.36 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1b2t n HIS 46 N 0.12 -2.10 -3.59 1.08 8.25 0.62 -4.98 115.22 114.62 1b2t n HIS 46 Ca 0.26 0.88 -0.41 0.00 -0.26 0.00 0.00 57.72 58.20 1b2t n HIS 46 Cb 1.10 -4.87 -0.11 0.00 1.12 0.00 0.00 29.99 27.23 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 -5.35 2.78 -0.28 -0.41 3.52 -1.24 -4.83 118.95 113.14 1b2t s ARG 47 Ca 0.05 -1.18 -0.08 0.00 -0.13 0.00 0.00 55.73 54.39 1b2t s ARG 47 Cb -0.02 -3.76 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1b2t s ARG 47 CO 0.68 -0.77 0.11 -0.51 -0.81 0.00 0.00 175.30 174.00 1b2t s LEU 48 N 1.53 3.80 0.24 -0.88 1.43 -1.22 -1.57 118.68 122.01 1b2t s LEU 48 Ca 0.02 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1b2t s LEU 48 Cb -0.20 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1b2t s LEU 48 CO 0.06 -0.13 -0.09 -0.36 0.23 0.00 0.00 176.35 176.06 1b2t s PHE 49 N 1.60 1.76 -0.55 0.29 0.40 -0.76 -4.91 117.98 115.81 1b2t s PHE 49 Ca 0.05 -0.69 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 1b2t s PHE 49 Cb -0.16 -0.93 0.14 0.00 0.51 0.00 0.00 43.02 42.57 1b2t s PHE 49 CO 0.05 0.25 0.39 0.00 0.70 0.00 0.00 175.22 176.61 1b2t s ALA 51 N 0.72 3.38 0.27 0.00 0.00 0.23 -3.40 121.76 122.96 1b2t s ALA 51 Ca 0.11 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 1b2t s ALA 51 Cb -0.22 -1.62 -0.10 0.00 0.00 0.00 0.00 23.12 21.19 1b2t s ALA 51 CO -0.03 0.52 1.22 -0.51 0.00 0.00 0.00 175.76 176.96 1b2t s ASP 52 N -0.68 7.00 0.66 0.00 1.01 -1.26 -1.11 116.67 122.31 1b2t s ASP 52 Ca 0.11 2.44 0.43 0.00 0.71 0.00 0.00 52.55 56.25 1b2t s ASP 52 Cb -0.12 -2.63 2.37 0.00 1.01 0.00 0.00 42.92 43.56 1b2t s ASP 52 CO 0.02 -0.38 2.35 1.55 0.21 0.00 0.00 175.17 178.93 1b2t h PRO 53 N 4.09 0.00 0.00 8.23 0.13 -1.91 -0.91 132.00 141.64 1b2t h PRO 53 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1b2t h PRO 53 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1b2t h PRO 53 CO 0.69 0.00 -0.59 0.87 -0.23 0.00 0.00 178.00 178.74 1b2t h LYS 54 N 0.00 0.00 -6.59 0.86 1.57 -1.98 -3.40 116.57 107.04 1b2t h LYS 54 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1b2t h LYS 54 Cb 0.03 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.41 1b2t h LYS 54 CO -0.00 0.59 0.78 0.39 -0.57 0.00 0.00 179.45 180.63 1b2t n GLU 55 N -3.69 2.26 0.29 3.15 1.02 -0.35 -4.88 120.64 118.45 1b2t n GLU 55 Ca -0.01 0.81 -0.17 0.00 -0.02 0.00 0.00 57.16 57.77 1b2t n GLU 55 Cb 0.62 -2.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.40 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 5.34 -0.82 0.00 3.49 -0.00 -1.88 -1.29 115.11 119.95 1b2t h GLN 56 Ca -0.45 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 1b2t h GLN 56 Cb 1.25 0.19 0.00 0.00 0.00 0.00 0.00 27.48 28.92 1b2t h GLN 56 CO 0.84 -0.55 0.30 0.11 0.00 0.00 0.00 178.83 179.53 1b2t h TRP 57 N -0.85 0.00 0.09 3.99 5.08 -1.96 0.17 115.95 122.46 1b2t h TRP 57 Ca -0.06 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.59 1b2t h TRP 57 Cb 0.72 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.86 1b2t h TRP 57 CO -0.14 0.00 -1.78 0.28 -1.28 0.00 0.00 178.44 175.52 1b2t h VAL 58 N 0.00 0.84 -0.08 0.12 2.07 -1.57 -2.13 116.25 115.50 1b2t h VAL 58 Ca 0.00 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 64.92 1b2t h VAL 58 Cb 0.60 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1b2t h VAL 58 CO 0.00 0.76 -0.03 0.11 0.02 0.00 0.00 177.57 178.43 1b2t h LYS 59 N 0.05 0.17 -0.10 1.57 1.57 0.17 -2.20 116.57 117.81 1b2t h LYS 59 Ca -0.33 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 1b2t h LYS 59 Cb 2.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1b2t h LYS 59 CO 0.11 0.50 -0.37 0.22 -0.57 0.00 0.00 179.45 179.34 1b2t h ASP 60 N -0.18 0.49 -0.80 0.86 3.58 -1.51 -2.45 116.42 116.40 1b2t h ASP 60 Ca 0.02 -0.63 0.16 0.00 0.42 0.00 0.00 57.03 57.01 1b2t h ASP 60 Cb 0.45 -0.14 -0.10 0.00 1.72 0.00 0.00 39.33 41.25 1b2t h ASP 60 CO 0.01 1.03 0.33 0.00 -2.88 0.00 0.00 179.24 177.73 1b2t h ALA 61 N 0.47 1.17 0.56 -0.78 0.00 -1.43 0.10 119.26 119.35 1b2t h ALA 61 Ca -0.02 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1b2t h ALA 61 Cb 1.00 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1b2t h ALA 61 CO 0.08 -0.23 -0.27 0.52 0.00 0.00 0.00 179.25 179.35 1b2t h MET 62 N 0.45 -0.73 -0.52 0.00 2.86 -1.40 -2.19 114.93 113.40 1b2t h MET 62 Ca 0.45 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 58.29 1b2t h MET 62 Cb 0.73 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 1b2t h MET 62 CO -0.44 -0.44 0.71 0.37 1.06 0.00 0.00 176.91 178.17 1b2t h GLN 63 N -1.14 0.00 -0.00 1.72 4.15 -0.97 0.45 115.11 119.32 1b2t h GLN 63 Ca -0.08 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1b2t h GLN 63 Cb 0.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1b2t h GLN 63 CO 0.13 0.00 -0.17 1.25 -1.93 0.00 0.00 178.83 178.10 1b2t h HIS 64 N 0.00 0.18 0.00 3.99 2.76 -0.52 -3.00 115.15 118.56 1b2t h HIS 64 Ca 0.25 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 1b2t h HIS 64 Cb 1.66 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.60 1b2t h HIS 64 CO 0.00 0.88 -0.23 -0.07 -1.30 0.00 0.00 177.93 177.21 1b2t h LEU 65 N -0.57 0.00 -0.97 0.26 3.38 0.44 -2.01 115.31 115.85 1b2t h LEU 65 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1b2t h LEU 65 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1b2t h LEU 65 CO 0.03 0.23 -0.41 0.44 0.09 0.00 0.00 178.44 178.82 1b2t h ASP 66 N 0.00 0.00 0.16 -0.43 5.19 -1.10 -3.10 116.42 117.15 1b2t h ASP 66 Ca -0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 1b2t h ASP 66 Cb 0.42 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.95 1b2t h ASP 66 CO 0.03 0.41 -1.01 -0.09 -3.12 0.00 0.00 179.24 175.46 1b2t h ARG 67 N 0.00 0.57 -0.39 3.56 2.43 -1.22 -3.07 114.38 116.26 1b2t h ARG 67 Ca -0.00 -0.62 0.07 0.00 -0.81 0.00 0.00 59.98 58.62 1b2t h ARG 67 Cb 0.89 0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 30.53 1b2t h ARG 67 CO 0.05 1.23 -0.41 1.96 -1.51 0.00 0.00 179.97 181.30 1b2t h GLN 68 N 0.32 -0.31 -0.28 0.20 4.20 -1.42 0.74 115.11 118.56 1b2t h GLN 68 Ca -0.11 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1b2t h GLN 68 Cb 1.65 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.49 1b2t h GLN 68 CO 0.19 -0.21 0.13 0.00 -0.67 0.00 0.00 178.83 178.27 1b2t h ALA 69 N 0.48 0.37 -0.93 3.87 0.00 -1.66 -2.85 119.26 118.54 1b2t h ALA 69 Ca 0.14 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1b2t h ALA 69 Cb 0.58 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1b2t h ALA 69 CO -0.56 -0.05 0.59 0.00 0.00 0.00 0.00 179.25 179.23 1b2t h ALA 70 N 0.98 1.26 0.00 0.00 0.00 -1.22 0.48 119.26 120.76 1b2t h ALA 70 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b2t h ALA 70 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1b2t h ALA 70 CO -0.01 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1b2t n ALA 71 N -2.36 1.06 -1.71 0.00 0.00 0.25 -1.06 120.51 116.69 1b2t n ALA 71 Ca 0.13 0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.77 1b2t n ALA 71 Cb 0.15 -1.23 0.14 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.04 2.09 -1.13 0.00 7.94 0.11 -5.09 117.00 118.88 1b2t n LEU 72 Ca -0.01 -3.15 0.00 0.00 -1.11 0.00 0.00 56.01 51.74 1b2t n LEU 72 Cb 0.03 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1b2t n LEU 72 CO 0.07 1.01 -0.34 0.35 -1.11 0.00 0.00 177.39 177.37 1b2t n THR 73 N -0.77 -2.62 -0.04 1.96 -2.24 -0.23 -4.86 114.28 105.49 1b2t n THR 73 Ca 0.14 1.23 -0.01 0.00 -2.27 0.00 0.00 64.05 63.14 1b2t n THR 73 Cb 0.77 -1.91 -0.14 0.00 -2.10 0.00 0.00 70.33 66.95 1b2t n THR 73 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1b2t n ARG 74 N -1.95 0.66 0.00 -0.78 0.63 -1.26 -4.60 116.66 109.36 1b2t n ARG 74 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1b2t n ARG 74 Cb 0.26 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.57 1b2t n ARG 74 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1b2t n ASN 75 N -2.65 2.35 0.00 6.15 6.94 -1.26 -5.12 115.26 121.66 1b2t n ASN 75 Ca -0.18 0.00 0.16 0.00 -0.02 0.00 0.00 54.58 54.54 1b2t n ASN 75 Cb 0.90 0.02 0.95 0.00 -2.36 0.00 0.00 39.78 39.28 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84