#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 -0.11 2.12 6.02 -1.26 -4.90 117.38 119.25 1b2t n GLN 1 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 1b2t n GLN 1 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 1b2t n GLN 1 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1b2t n HIS 2 N -1.19 0.00 -0.45 1.08 1.44 -1.26 -4.48 115.22 110.37 1b2t n HIS 2 Ca 0.00 0.00 0.37 0.00 -2.01 0.00 0.00 57.72 56.08 1b2t n HIS 2 Cb 0.00 -0.80 0.60 0.00 0.12 0.00 0.00 29.99 29.92 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 -3.31 0.46 0.00 -1.40 -0.00 -1.26 -4.82 115.22 104.89 1b2t n HIS 3 Ca -0.38 0.46 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1b2t n HIS 3 Cb 0.87 -0.88 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 1b2t n HIS 3 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1b2t n GLY 4 N -1.52 2.88 3.01 1.57 0.00 -1.26 -5.01 105.19 104.87 1b2t n GLY 4 Ca 0.35 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.99 3.34 -0.01 1.61 0.11 -1.26 -4.70 120.40 118.49 1b2t s VAL 5 Ca 0.00 -3.52 0.03 0.00 -2.93 0.00 0.00 61.98 55.56 1b2t s VAL 5 Cb 0.00 -3.19 -0.05 0.00 -1.53 0.00 0.00 36.38 31.61 1b2t s VAL 5 CO 0.00 -0.92 0.06 1.07 -3.33 0.00 0.00 175.10 171.98 1b2t n THR 6 N 2.83 0.02 -3.36 5.04 5.66 -1.26 -5.04 114.28 118.17 1b2t n THR 6 Ca 0.12 -0.08 -0.17 0.00 -3.05 0.00 0.00 64.05 60.87 1b2t n THR 6 Cb 0.35 0.30 0.08 0.00 -1.55 0.00 0.00 70.33 69.51 1b2t n THR 6 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1b2t n LYS 7 N -1.66 -6.43 -3.92 1.09 4.76 -1.26 -4.98 118.16 105.77 1b2t n LYS 7 Ca -0.01 0.77 -0.29 0.00 -2.87 0.00 0.00 58.31 55.91 1b2t n LYS 7 Cb 0.13 -5.57 -0.13 0.00 -1.84 0.00 0.00 35.03 27.62 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b2t n ASN 9 N 2.45 -0.16 -4.23 0.00 6.94 -1.26 -4.21 115.26 114.79 1b2t n ASN 9 Ca 0.14 1.04 -0.26 0.00 -0.02 0.00 0.00 54.58 55.48 1b2t n ASN 9 Cb 0.34 -0.34 -0.15 0.00 -2.36 0.00 0.00 39.78 37.27 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 -5.64 1.62 -0.01 1.53 2.07 -1.26 -5.14 121.20 114.36 1b2t s ILE 10 Ca -0.09 -1.06 0.02 0.00 -1.41 0.00 0.00 60.65 58.12 1b2t s ILE 10 Cb 0.17 -1.38 -0.00 0.00 0.13 0.00 0.00 42.46 41.38 1b2t s ILE 10 CO 0.47 0.30 -0.07 0.28 -1.91 0.00 0.00 174.94 174.01 1b2t s THR 11 N -0.67 0.57 -1.09 4.00 -1.32 -1.26 -4.80 115.64 111.07 1b2t s THR 11 Ca 0.07 -0.29 -0.05 0.00 -1.21 0.00 0.00 61.69 60.22 1b2t s THR 11 Cb -0.08 -0.49 0.30 0.00 -1.51 0.00 0.00 72.50 70.72 1b2t s THR 11 CO 0.01 0.17 1.45 0.00 -2.21 0.00 0.00 174.62 174.04 1b2t h SER 13 N 5.59 0.27 -5.03 0.00 0.87 -1.94 -2.98 113.55 110.32 1b2t h SER 13 Ca 0.20 -0.20 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 1b2t h SER 13 Cb 0.64 -0.08 -0.18 0.00 -0.44 0.00 0.00 62.40 62.35 1b2t h SER 13 CO 1.30 0.98 -0.69 -1.59 -0.53 0.00 0.00 176.83 176.30 1b2t s LYS 14 N -3.31 0.53 0.80 2.24 0.00 -1.26 -4.99 119.74 113.74 1b2t s LYS 14 Ca -0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 55.97 54.89 1b2t s LYS 14 Cb 0.10 0.08 0.14 0.00 0.00 0.00 0.00 37.83 38.16 1b2t s LYS 14 CO 0.82 -0.06 1.11 -1.64 0.00 0.00 0.00 175.35 175.58 1b2t s MET 15 N -2.86 1.39 0.41 1.78 -1.94 -1.26 -4.63 119.30 112.20 1b2t s MET 15 Ca -0.02 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 1b2t s MET 15 Cb -0.00 -2.15 -0.01 0.00 2.01 0.00 0.00 34.83 34.68 1b2t s MET 15 CO -0.05 -1.75 0.12 -2.37 -0.01 0.00 0.00 175.02 170.96 1b2t n THR 16 N -3.16 0.00 -3.48 2.05 5.66 -1.13 -4.95 114.28 109.27 1b2t n THR 16 Ca 0.14 -2.31 -0.18 0.00 -3.05 0.00 0.00 64.05 58.65 1b2t n THR 16 Cb 0.60 0.77 0.02 0.00 -1.55 0.00 0.00 70.33 70.17 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 -1.50 2.08 -4.69 1.09 7.64 -1.26 -4.88 113.62 112.10 1b2t n SER 17 Ca -0.08 -2.37 -0.37 0.00 1.01 0.00 0.00 58.87 57.06 1b2t n SER 17 Cb 0.60 -0.16 0.07 0.00 -1.01 0.00 0.00 64.21 63.71 1b2t n SER 17 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1b2t n LYS 18 N -1.71 1.01 -3.77 1.43 4.81 -1.26 -5.04 118.16 113.64 1b2t n LYS 18 Ca 0.04 0.40 -0.13 0.00 -0.87 0.00 0.00 58.31 57.75 1b2t n LYS 18 Cb 0.48 -2.42 -0.11 0.00 0.02 0.00 0.00 35.03 33.00 1b2t n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1b2t s ILE 19 N -1.45 -0.00 0.01 3.15 1.01 -1.26 -5.13 121.20 117.53 1b2t s ILE 19 Ca 0.81 0.01 -0.34 0.00 0.00 0.00 0.00 60.65 61.12 1b2t s ILE 19 Cb -0.39 -0.42 -0.13 0.00 0.01 0.00 0.00 42.46 41.54 1b2t s ILE 19 CO 0.42 0.00 1.73 -0.81 0.00 0.00 0.00 174.94 176.29 1b2t n PRO 20 N 3.03 2.06 0.29 2.79 -0.04 -1.26 -4.85 135.00 137.02 1b2t n PRO 20 Ca -0.14 0.75 0.18 0.00 -0.04 0.00 0.00 63.50 64.26 1b2t n PRO 20 Cb 0.58 -2.55 0.80 0.00 -0.04 0.00 0.00 33.50 32.29 1b2t n PRO 20 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1b2t h VAL 21 N 4.62 0.01 0.00 0.52 2.07 -1.95 -2.44 116.25 119.07 1b2t h VAL 21 Ca -0.47 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1b2t h VAL 21 Cb 1.27 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1b2t h VAL 21 CO 0.92 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.51 1b2t n ALA 22 N -2.09 1.30 -0.01 1.67 0.00 -1.26 -1.37 120.51 118.75 1b2t n ALA 22 Ca -0.00 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1b2t n ALA 22 Cb 0.26 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.51 0.00 -4.72 0.00 4.77 -0.92 -4.96 117.00 109.66 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 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1b2t n LEU 23 CO 0.06 0.00 1.09 -0.76 -1.33 0.00 0.00 177.39 176.45 1b2t s LEU 24 N -4.16 4.37 0.00 2.23 1.43 -0.47 -0.49 118.68 121.59 1b2t s LEU 24 Ca -0.06 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1b2t s LEU 24 Cb 0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1b2t s LEU 24 CO 0.69 -0.68 0.00 2.30 0.23 0.00 0.00 176.35 178.89 1b2t n ILE 25 N 3.93 0.00 -3.62 -0.59 -5.35 0.09 -4.80 119.36 109.03 1b2t n ILE 25 Ca 0.12 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.45 1b2t n ILE 25 Cb 0.42 -0.79 -0.07 0.00 -1.74 0.00 0.00 39.64 37.45 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 -1.95 -0.70 0.07 4.28 3.76 -0.73 -5.03 115.29 114.99 1b2t s HIS 26 Ca 0.00 1.58 0.08 0.00 -0.15 0.00 0.00 55.06 56.57 1b2t s HIS 26 Cb 0.00 0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.95 1b2t s HIS 26 CO 0.00 -0.42 -0.22 1.52 -0.85 0.00 0.00 174.74 174.77 1b2t s TYR 27 N -0.10 1.88 0.18 1.40 -0.85 -1.26 0.09 117.35 118.69 1b2t s TYR 27 Ca -0.03 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 1b2t s TYR 27 Cb -0.04 -1.08 -0.05 0.00 0.38 0.00 0.00 41.96 41.18 1b2t s TYR 27 CO 0.03 0.15 -0.04 1.14 -1.52 0.00 0.00 175.55 175.31 1b2t s GLN 28 N -1.48 1.16 0.00 -3.49 0.00 0.10 -4.99 119.66 110.96 1b2t s GLN 28 Ca 0.08 -1.55 -0.02 0.00 -0.00 0.00 0.00 55.36 53.87 1b2t s GLN 28 Cb -0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 33.01 32.37 1b2t s GLN 28 CO 0.03 -0.04 0.17 -1.14 0.00 0.00 0.00 175.29 174.31 1b2t s GLN 29 N -3.84 3.37 0.32 9.60 2.00 -1.26 -0.37 119.66 129.49 1b2t s GLN 29 Ca 0.22 -0.36 -0.27 0.00 -2.00 0.00 0.00 55.36 52.95 1b2t s GLN 29 Cb 0.05 -3.05 -0.09 0.00 0.80 0.00 0.00 33.01 30.71 1b2t s GLN 29 CO 0.04 0.66 1.06 1.21 -0.50 0.00 0.00 175.29 177.76 1b2t s ASN 30 N -1.98 7.13 -0.09 6.67 3.84 -1.15 -4.82 114.94 124.54 1b2t s ASN 30 Ca 0.27 2.13 -0.19 0.00 0.21 0.00 0.00 52.86 55.29 1b2t s ASN 30 Cb -0.13 -2.61 -0.04 0.00 -0.55 0.00 0.00 41.25 37.92 1b2t s ASN 30 CO 0.19 -0.23 0.53 -1.10 -2.79 0.00 0.00 177.10 173.70 1b2t s GLN 31 N -1.82 4.34 -1.07 0.43 -1.52 -1.26 -4.86 119.66 113.89 1b2t s GLN 31 Ca 0.49 0.56 -0.27 0.00 -1.95 0.00 0.00 55.36 54.20 1b2t s GLN 31 Cb -0.27 -3.42 -0.23 0.00 -0.22 0.00 0.00 33.01 28.87 1b2t s GLN 31 CO 0.34 0.19 2.12 0.00 -0.25 0.00 0.00 175.29 177.69 1b2t n ALA 32 N 3.48 0.19 0.00 6.09 0.00 -1.26 -1.91 120.51 127.10 1b2t n ALA 32 Ca -0.06 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.19 1b2t n ALA 32 Cb 0.51 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 19.88 0.00 -4.47 0.00 3.41 -1.26 -5.12 113.62 126.06 1b2t n SER 33 Ca 0.41 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.65 1b2t n SER 33 Cb 0.47 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.30 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 4.95 3.04 3.63 0.00 0.00 -1.26 -4.06 105.19 111.50 1b2t n GLY 35 Ca -0.16 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 1.98 -1.01 1.61 -0.14 -1.13 -4.87 119.74 116.19 1b2t s LYS 36 Ca 0.00 -2.11 -0.24 0.00 -1.36 0.00 0.00 55.97 52.26 1b2t s LYS 36 Cb 0.00 -1.65 -0.07 0.00 -1.68 0.00 0.00 37.83 34.43 1b2t s LYS 36 CO 0.00 -0.07 1.96 0.50 -0.76 0.00 0.00 175.35 176.98 1b2t s ARG 37 N -3.73 2.47 0.00 1.68 3.52 -1.26 -4.75 118.95 116.89 1b2t s ARG 37 Ca 0.34 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1b2t s ARG 37 Cb 0.09 -5.12 0.00 0.00 -1.56 0.00 0.00 34.95 28.36 1b2t s ARG 37 CO 0.18 -3.68 0.00 0.00 -0.81 0.00 0.00 175.30 170.98 1b2t n ALA 38 N 14.41 0.00 -2.57 6.12 0.00 -1.26 -4.72 120.51 132.48 1b2t n ALA 38 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 1b2t n ALA 38 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 0.51 1.06 -0.14 0.00 -1.09 -0.42 -2.93 121.20 118.20 1b2t s ILE 39 Ca 0.00 -1.53 -0.03 0.00 -2.23 0.00 0.00 60.65 56.85 1b2t s ILE 39 Cb 0.00 -1.28 -0.03 0.00 -1.58 0.00 0.00 42.46 39.57 1b2t s ILE 39 CO 0.00 -0.42 -0.03 -0.63 -1.23 0.00 0.00 174.94 172.63 1b2t s ILE 40 N -1.98 3.95 -0.18 2.92 -1.09 0.50 -0.97 121.20 124.35 1b2t s ILE 40 Ca 0.03 -0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 58.10 1b2t s ILE 40 Cb -0.06 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.12 1b2t s ILE 40 CO 0.01 0.51 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.33 1b2t s LEU 41 N 0.14 2.40 -0.18 2.97 1.43 -0.64 -0.73 118.68 124.07 1b2t s LEU 41 Ca -0.01 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1b2t s LEU 41 Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1b2t s LEU 41 CO 0.03 0.02 -0.05 -0.70 0.23 0.00 0.00 176.35 175.88 1b2t s GLU 42 N 1.20 3.52 0.31 1.70 2.12 0.11 -1.94 118.70 125.73 1b2t s GLU 42 Ca 0.02 -0.58 0.07 0.00 0.36 0.00 0.00 54.97 54.84 1b2t s GLU 42 Cb -0.14 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 1b2t s GLU 42 CO -0.07 0.06 0.31 0.95 -0.54 0.00 0.00 175.26 175.98 1b2t s THR 43 N 0.81 3.98 0.10 -1.70 -4.23 -0.65 -0.73 115.64 113.22 1b2t s THR 43 Ca -0.02 -1.27 0.21 0.00 -1.18 0.00 0.00 61.69 59.44 1b2t s THR 43 Cb -0.15 -3.33 0.21 0.00 1.34 0.00 0.00 72.50 70.57 1b2t s THR 43 CO 0.02 -0.22 1.60 0.08 -0.54 0.00 0.00 174.62 175.56 1b2t h ARG 44 N 1.22 0.00 -0.88 3.99 0.11 -1.10 0.64 114.38 118.36 1b2t h ARG 44 Ca -0.46 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.07 1b2t h ARG 44 Cb 1.25 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 32.04 1b2t h ARG 44 CO 0.58 0.00 0.49 0.94 0.10 0.00 0.00 179.97 182.08 1b2t n GLN 45 N -2.33 2.53 -3.92 0.08 -0.06 -1.26 -4.91 117.38 107.51 1b2t n GLN 45 Ca -0.01 -3.28 -0.25 0.00 -2.00 0.00 0.00 57.00 51.45 1b2t n GLN 45 Cb 0.22 -2.19 -0.01 0.00 -4.06 0.00 0.00 30.24 24.19 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1b2t n HIS 46 N -1.00 -1.68 -3.51 3.69 8.25 0.21 -4.92 115.22 116.25 1b2t n HIS 46 Ca 0.56 0.76 -0.42 0.00 -0.26 0.00 0.00 57.72 58.36 1b2t n HIS 46 Cb 1.07 -3.84 -0.08 0.00 1.12 0.00 0.00 29.99 28.26 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 -6.47 2.69 -0.43 -0.41 3.52 -1.20 -4.87 118.95 111.77 1b2t s ARG 47 Ca 0.01 -1.56 -0.08 0.00 -0.13 0.00 0.00 55.73 53.97 1b2t s ARG 47 Cb -0.00 -3.95 0.10 0.00 -1.56 0.00 0.00 34.95 29.53 1b2t s ARG 47 CO 0.88 -1.08 0.28 -0.51 -0.81 0.00 0.00 175.30 174.05 1b2t s LEU 48 N 1.47 5.32 0.30 -0.88 1.43 -1.22 -1.64 118.68 123.46 1b2t s LEU 48 Ca 0.04 -1.69 0.10 0.00 -1.03 0.00 0.00 54.13 51.54 1b2t s LEU 48 Cb -0.25 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 1b2t s LEU 48 CO 0.02 -0.59 -0.02 -0.36 0.23 0.00 0.00 176.35 175.63 1b2t s PHE 49 N 1.37 2.57 -0.54 0.29 0.40 -0.82 -4.91 117.98 116.34 1b2t s PHE 49 Ca 0.04 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 55.93 1b2t s PHE 49 Cb -0.24 -1.31 0.14 0.00 0.51 0.00 0.00 43.02 42.12 1b2t s PHE 49 CO 0.00 0.56 0.43 0.00 0.70 0.00 0.00 175.22 176.92 1b2t s ALA 51 N 1.18 3.25 0.30 0.00 0.00 -0.14 -2.85 121.76 123.48 1b2t s ALA 51 Ca 0.07 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1b2t s ALA 51 Cb -0.25 -1.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.94 1b2t s ALA 51 CO -0.01 0.10 1.41 -0.51 0.00 0.00 0.00 175.76 176.75 1b2t s ASP 52 N 0.53 6.63 0.00 0.00 1.11 -1.26 -1.30 116.67 122.38 1b2t s ASP 52 Ca 0.01 2.75 0.11 0.00 0.18 0.00 0.00 52.55 55.60 1b2t s ASP 52 Cb -0.13 -2.64 0.57 0.00 1.07 0.00 0.00 42.92 41.79 1b2t s ASP 52 CO 0.02 -0.69 1.21 -0.81 1.18 0.00 0.00 175.17 176.08 1b2t n PRO 53 N 1.58 0.20 0.16 8.23 -0.04 -1.26 -2.13 135.00 141.72 1b2t n PRO 53 Ca 0.04 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.69 1b2t n PRO 53 Cb 0.40 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1b2t n PRO 53 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1b2t h LYS 54 N 0.00 0.00 -6.64 0.54 1.79 -1.96 -3.44 116.57 106.87 1b2t h LYS 54 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1b2t h LYS 54 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1b2t h LYS 54 CO 0.00 0.36 0.48 -1.21 -1.08 0.00 0.00 179.45 178.00 1b2t s GLU 55 N -3.03 4.58 0.12 3.15 2.02 -0.91 -4.96 118.70 119.67 1b2t s GLU 55 Ca 0.04 1.72 -0.19 0.00 0.02 0.00 0.00 54.97 56.56 1b2t s GLU 55 Cb 0.07 -3.29 -0.06 0.00 0.10 0.00 0.00 34.13 30.95 1b2t s GLU 55 CO 0.73 0.04 1.74 0.37 0.02 0.00 0.00 175.26 178.16 1b2t h GLN 56 N 5.29 0.32 -0.02 1.61 -0.00 -1.89 -1.88 115.11 118.55 1b2t h GLN 56 Ca -0.44 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.18 1b2t h GLN 56 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 28.62 1b2t h GLN 56 CO 0.73 0.27 0.46 0.11 0.00 0.00 0.00 178.83 180.40 1b2t h TRP 57 N 0.29 0.00 0.11 3.99 5.08 -1.96 0.40 115.95 123.86 1b2t h TRP 57 Ca 0.08 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.71 1b2t h TRP 57 Cb 0.03 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.17 1b2t h TRP 57 CO -0.04 0.00 -1.85 0.28 -1.28 0.00 0.00 178.44 175.55 1b2t h VAL 58 N 0.00 0.78 -0.31 0.12 2.07 -1.66 -2.09 116.25 115.16 1b2t h VAL 58 Ca 0.01 -2.49 -0.10 0.00 0.82 0.00 0.00 66.70 64.94 1b2t h VAL 58 Cb 0.93 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1b2t h VAL 58 CO -0.00 0.81 -0.19 0.11 0.02 0.00 0.00 177.57 178.32 1b2t h LYS 59 N 0.06 0.67 -0.04 1.57 1.57 -0.04 -2.10 116.57 118.26 1b2t h LYS 59 Ca -0.36 -0.31 -0.19 0.00 -1.87 0.00 0.00 60.65 57.92 1b2t h LYS 59 Cb 2.04 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.35 1b2t h LYS 59 CO 0.11 0.91 -0.71 -0.44 -0.57 0.00 0.00 179.45 178.75 1b2t h ASP 60 N 0.43 0.70 -0.70 0.86 3.32 -1.08 -1.89 116.42 118.05 1b2t h ASP 60 Ca 0.06 -0.71 0.11 0.00 0.02 0.00 0.00 57.03 56.51 1b2t h ASP 60 Cb 0.73 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.99 1b2t h ASP 60 CO 0.05 1.31 0.30 0.00 -1.72 0.00 0.00 179.24 179.19 1b2t h ALA 61 N 0.40 0.95 0.14 3.45 0.00 -1.38 -1.17 119.26 121.66 1b2t h ALA 61 Ca -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1b2t h ALA 61 Cb 1.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1b2t h ALA 61 CO 0.14 -0.14 -0.07 0.52 0.00 0.00 0.00 179.25 179.70 1b2t h MET 62 N 0.50 -0.18 -1.51 0.00 2.86 -1.41 -2.53 114.93 112.65 1b2t h MET 62 Ca 0.36 0.01 0.44 0.00 -2.06 0.00 0.00 59.70 58.45 1b2t h MET 62 Cb 0.46 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.10 1b2t h MET 62 CO -0.32 0.26 1.08 1.96 1.06 0.00 0.00 176.91 180.95 1b2t h GLN 63 N -0.75 0.01 0.13 1.72 4.20 -0.97 0.38 115.11 119.84 1b2t h GLN 63 Ca -0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1b2t h GLN 63 Cb 0.53 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1b2t h GLN 63 CO 0.03 0.01 -0.06 1.25 -0.67 0.00 0.00 178.83 179.38 1b2t h HIS 64 N 0.01 -0.17 -0.19 2.96 2.76 -1.10 -2.77 115.15 116.66 1b2t h HIS 64 Ca 0.73 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.95 1b2t h HIS 64 Cb 2.88 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 31.89 1b2t h HIS 64 CO -0.00 0.21 0.17 -0.07 -1.30 0.00 0.00 177.93 176.94 1b2t h LEU 65 N -0.96 0.00 0.22 0.26 3.38 -0.21 -2.50 115.31 115.50 1b2t h LEU 65 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1b2t h LEU 65 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1b2t h LEU 65 CO 0.03 0.00 -0.11 0.44 0.09 0.00 0.00 178.44 178.89 1b2t h ASP 66 N 0.00 -0.25 -0.43 -0.43 5.19 -0.46 -3.20 116.42 116.83 1b2t h ASP 66 Ca 0.09 -0.27 0.04 0.00 -0.62 0.00 0.00 57.03 56.26 1b2t h ASP 66 Cb 0.44 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.96 1b2t h ASP 66 CO -0.00 0.26 -0.26 0.54 -3.12 0.00 0.00 179.24 176.66 1b2t n ARG 67 N -4.99 -0.19 0.00 3.56 3.00 -0.94 0.22 116.66 117.32 1b2t n ARG 67 Ca -0.08 1.05 0.00 0.00 -0.01 0.00 0.00 57.85 58.81 1b2t n ARG 67 Cb 0.26 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.16 1b2t n ARG 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1b2t n GLN 68 N -3.98 0.00 -0.26 5.56 6.02 -1.22 -0.38 117.38 123.12 1b2t n GLN 68 Ca 0.01 0.61 0.07 0.00 -0.01 0.00 0.00 57.00 57.67 1b2t n GLN 68 Cb 0.11 -1.27 0.19 0.00 1.02 0.00 0.00 30.24 30.29 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b2t h ALA 69 N -1.64 0.92 -0.73 -1.58 0.00 -1.42 0.45 119.26 115.25 1b2t h ALA 69 Ca 0.00 0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.29 1b2t h ALA 69 Cb 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1b2t h ALA 69 CO 0.00 -0.41 0.49 0.00 0.00 0.00 0.00 179.25 179.33 1b2t h ALA 70 N 1.69 2.22 0.00 0.00 0.00 0.32 0.19 119.26 123.67 1b2t h ALA 70 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1b2t h ALA 70 Cb 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1b2t h ALA 70 CO -0.62 -0.42 0.08 0.00 0.00 0.00 0.00 179.25 178.29 1b2t h ALA 71 N 1.65 1.06 0.00 0.00 0.00 0.28 0.17 119.26 122.43 1b2t h ALA 71 Ca 0.36 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 1b2t h ALA 71 Cb 0.93 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1b2t h ALA 71 CO -0.10 -0.06 -1.21 -0.07 0.00 0.00 0.00 179.25 177.81 1b2t h LEU 72 N 0.00 0.00 0.00 0.00 -0.00 -0.70 -3.48 115.31 111.13 1b2t h LEU 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1b2t h LEU 72 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1b2t h LEU 72 CO 0.00 0.72 0.00 1.07 -0.00 0.00 0.00 178.44 180.23 1b2t n THR 73 N -3.07 0.00 0.00 0.22 5.66 0.58 -5.13 114.28 112.54 1b2t n THR 73 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1b2t n THR 73 Cb 0.88 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.66 1b2t n THR 73 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1b2t n ARG 74 N 0.00 0.00 -0.06 1.09 3.00 -1.13 -4.96 116.66 114.61 1b2t n ARG 74 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1b2t n ARG 74 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 1b2t n ARG 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1b2t n ASN 75 N 0.00 1.44 0.00 6.15 5.15 -1.26 -4.79 115.26 121.95 1b2t n ASN 75 Ca 0.00 -1.98 0.00 0.00 -0.60 0.00 0.00 54.58 52.00 1b2t n ASN 75 Cb 0.00 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27