#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2t s GLN 1 N 0.00 3.19 0.00 2.12 -2.07 -1.26 -4.14 119.66 117.49 1b2t s GLN 1 Ca 0.00 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 1b2t s GLN 1 Cb 0.00 -4.12 0.00 0.00 -1.09 0.00 0.00 33.01 27.80 1b2t s GLN 1 CO 0.00 -1.45 0.00 1.58 -1.32 0.00 0.00 175.29 174.10 1b2t n HIS 2 N 6.92 -0.33 0.60 9.60 -0.00 -1.26 -4.96 115.22 125.79 1b2t n HIS 2 Ca -0.03 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.21 1b2t n HIS 2 Cb 0.46 0.07 -0.02 0.00 -0.12 0.00 0.00 29.99 30.37 1b2t n HIS 2 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1b2t n HIS 3 N -1.13 0.00 0.00 1.57 -0.00 -1.26 -5.08 115.22 109.32 1b2t n HIS 3 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1b2t n HIS 3 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 1.11 -0.34 3.02 1.57 0.00 -1.26 -5.07 105.19 104.22 1b2t n GLY 4 Ca 0.05 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 2.02 -1.19 1.61 -7.23 -1.26 -4.33 120.40 110.02 1b2t s VAL 5 Ca 0.00 -1.67 0.11 0.00 -1.81 0.00 0.00 61.98 58.61 1b2t s VAL 5 Cb 0.00 -2.23 0.20 0.00 0.56 0.00 0.00 36.38 34.91 1b2t s VAL 5 CO 0.00 -0.16 1.06 0.35 -0.31 0.00 0.00 175.10 176.04 1b2t n THR 6 N 4.46 0.50 -3.21 5.32 -2.24 -1.26 -5.05 114.28 112.80 1b2t n THR 6 Ca -0.10 -0.75 -0.03 0.00 -2.27 0.00 0.00 64.05 60.90 1b2t n THR 6 Cb 0.42 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1b2t n THR 6 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1b2t n LYS 7 N 0.60 -0.44 -1.91 -0.78 -0.00 -1.26 -4.55 118.16 109.81 1b2t n LYS 7 Ca 0.09 0.85 -0.02 0.00 -0.00 0.00 0.00 58.31 59.23 1b2t n LYS 7 Cb 0.36 -1.13 -0.02 0.00 -0.00 0.00 0.00 35.03 34.24 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 0.62 0.12 -3.66 0.00 0.23 -1.26 -2.50 115.26 108.80 1b2t n ASN 9 Ca -0.15 0.90 -0.29 0.00 -0.53 0.00 0.00 54.58 54.51 1b2t n ASN 9 Cb 0.24 -0.44 -0.13 0.00 -2.08 0.00 0.00 39.78 37.36 1b2t n ASN 9 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1b2t s ILE 10 N -4.64 0.97 -0.31 1.53 2.07 -1.26 -5.03 121.20 114.52 1b2t s ILE 10 Ca -0.05 -2.01 -0.09 0.00 -1.41 0.00 0.00 60.65 57.09 1b2t s ILE 10 Cb 0.21 -1.70 -0.00 0.00 0.13 0.00 0.00 42.46 41.10 1b2t s ILE 10 CO 0.57 -0.85 0.14 -0.89 -1.91 0.00 0.00 174.94 172.00 1b2t s THR 11 N 0.90 4.44 -0.54 4.00 2.01 -1.04 -4.68 115.64 120.73 1b2t s THR 11 Ca 0.15 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 1b2t s THR 11 Cb -0.22 -3.28 -0.13 0.00 0.01 0.00 0.00 72.50 68.88 1b2t s THR 11 CO -0.08 0.05 2.53 0.00 -0.69 0.00 0.00 174.62 176.44 1b2t h SER 13 N 4.87 0.00 -3.03 0.00 0.87 -1.94 -3.28 113.55 111.04 1b2t h SER 13 Ca 0.36 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.74 1b2t h SER 13 Cb 0.65 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.30 1b2t h SER 13 CO 0.90 0.00 -0.47 -0.75 -0.53 0.00 0.00 176.83 175.99 1b2t s LYS 14 N -3.28 0.22 1.22 2.24 2.47 -1.26 -5.03 119.74 116.32 1b2t s LYS 14 Ca 0.06 0.71 -0.15 0.00 -1.56 0.00 0.00 55.97 55.04 1b2t s LYS 14 Cb 0.09 -0.02 0.31 0.00 -1.46 0.00 0.00 37.83 36.75 1b2t s LYS 14 CO 0.54 -0.22 1.01 -1.64 0.16 0.00 0.00 175.35 175.20 1b2t s MET 15 N 1.92 -1.38 0.12 4.03 -1.94 -1.26 -4.73 119.30 116.06 1b2t s MET 15 Ca -0.04 0.68 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 1b2t s MET 15 Cb -0.11 -1.51 -0.00 0.00 2.01 0.00 0.00 34.83 35.22 1b2t s MET 15 CO -0.10 -3.99 0.00 -2.37 -0.01 0.00 0.00 175.02 168.56 1b2t n THR 16 N -5.08 0.00 -4.28 2.05 5.66 -1.03 -4.97 114.28 106.63 1b2t n THR 16 Ca 0.04 -0.58 -0.26 0.00 -3.05 0.00 0.00 64.05 60.20 1b2t n THR 16 Cb 0.55 0.12 -0.09 0.00 -1.55 0.00 0.00 70.33 69.36 1b2t n THR 16 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1b2t s SER 17 N -1.67 4.37 0.39 1.09 0.01 -1.26 -4.99 113.70 111.64 1b2t s SER 17 Ca 0.00 -0.57 -0.20 0.00 1.31 0.00 0.00 55.95 56.49 1b2t s SER 17 Cb 0.00 -0.78 -0.15 0.00 0.21 0.00 0.00 66.02 65.30 1b2t s SER 17 CO 0.00 0.08 0.08 1.17 0.41 0.00 0.00 173.24 174.98 1b2t n LYS 18 N -0.16 0.00 -3.78 12.44 4.81 -1.26 -4.99 118.16 125.22 1b2t n LYS 18 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.22 1b2t n LYS 18 Cb 0.56 -0.96 -0.13 0.00 0.02 0.00 0.00 35.03 34.53 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 -1.61 -0.02 -0.21 3.15 1.01 -1.26 -5.11 121.20 117.15 1b2t s ILE 19 Ca 0.57 0.06 -0.35 0.00 0.00 0.00 0.00 60.65 60.92 1b2t s ILE 19 Cb -0.61 -0.30 -0.12 0.00 0.01 0.00 0.00 42.46 41.44 1b2t s ILE 19 CO 0.60 0.02 1.97 -2.65 0.00 0.00 0.00 174.94 174.88 1b2t n PRO 20 N 3.42 1.64 0.17 2.79 -0.02 -1.26 -4.80 135.00 136.94 1b2t n PRO 20 Ca -0.17 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 1b2t n PRO 20 Cb 0.56 -2.52 0.61 0.00 -0.02 0.00 0.00 33.50 32.13 1b2t n PRO 20 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1b2t n VAL 21 N 5.82 1.00 0.36 -1.45 3.14 -1.26 -0.97 118.33 124.97 1b2t n VAL 21 Ca 0.29 0.75 0.09 0.00 -2.96 0.00 0.00 64.34 62.51 1b2t n VAL 21 Cb 0.25 -1.74 0.41 0.00 -1.06 0.00 0.00 33.84 31.69 1b2t n VAL 21 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b2t n ALA 22 N -1.79 1.51 0.61 1.55 0.00 -1.26 -1.70 120.51 119.44 1b2t n ALA 22 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1b2t n ALA 22 Cb 0.04 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.96 0.61 -4.68 0.00 4.77 -0.14 -4.94 117.00 110.66 1b2t n LEU 23 Ca 0.02 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.18 1b2t n LEU 23 Cb 0.16 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1b2t n LEU 23 CO 0.15 0.15 0.82 -0.76 -1.33 0.00 0.00 177.39 176.42 1b2t s LEU 24 N -3.08 4.21 -0.09 2.23 1.43 -0.69 -1.91 118.68 120.78 1b2t s LEU 24 Ca 0.04 1.49 0.10 0.00 -1.03 0.00 0.00 54.13 54.73 1b2t s LEU 24 Cb 0.12 -3.55 -0.14 0.00 0.03 0.00 0.00 46.19 42.65 1b2t s LEU 24 CO 0.68 -0.50 0.07 2.30 0.23 0.00 0.00 176.35 179.13 1b2t n ILE 25 N 4.74 0.62 -3.62 -0.59 -5.35 -0.66 -4.89 119.36 109.62 1b2t n ILE 25 Ca 0.10 -0.43 -0.13 0.00 -0.27 0.00 0.00 62.75 62.02 1b2t n ILE 25 Cb 0.48 -0.56 -0.07 0.00 -1.74 0.00 0.00 39.64 37.75 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 -2.35 -0.65 0.32 4.28 2.46 -0.93 -5.05 115.29 113.37 1b2t s HIS 26 Ca -0.05 1.53 0.09 0.00 0.47 0.00 0.00 55.06 57.10 1b2t s HIS 26 Cb 0.04 0.32 -0.05 0.00 -0.13 0.00 0.00 32.58 32.77 1b2t s HIS 26 CO 0.45 -0.35 0.07 1.52 -2.47 0.00 0.00 174.74 173.96 1b2t s TYR 27 N 0.09 2.67 0.00 3.88 -0.85 -1.26 -0.96 117.35 120.91 1b2t s TYR 27 Ca -0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 57.07 56.20 1b2t s TYR 27 Cb -0.04 -1.48 0.00 0.00 0.38 0.00 0.00 41.96 40.82 1b2t s TYR 27 CO -0.00 0.45 0.00 1.04 -1.52 0.00 0.00 175.55 175.52 1b2t n GLN 28 N -1.03 0.00 -3.72 -3.49 6.02 0.10 -4.95 117.38 110.31 1b2t n GLN 28 Ca -0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.81 1b2t n GLN 28 Cb 0.61 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.72 1b2t n GLN 28 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1b2t s GLN 29 N 1.04 0.10 1.07 -1.09 0.74 -1.26 -2.13 119.66 118.13 1b2t s GLN 29 Ca 0.00 0.45 -0.19 0.00 0.05 0.00 0.00 55.36 55.67 1b2t s GLN 29 Cb 0.00 -0.19 0.04 0.00 1.10 0.00 0.00 33.01 33.96 1b2t s GLN 29 CO 0.00 -0.20 -0.23 -1.71 -0.55 0.00 0.00 175.29 172.60 1b2t n ASN 30 N 4.51 -2.60 -4.76 6.67 5.15 -1.08 -4.83 115.26 118.32 1b2t n ASN 30 Ca -0.21 -0.03 -0.25 0.00 -0.60 0.00 0.00 54.58 53.50 1b2t n ASN 30 Cb 0.51 -0.91 -0.06 0.00 -0.53 0.00 0.00 39.78 38.80 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 -3.17 2.75 0.00 1.20 -0.21 -1.26 -4.87 119.66 114.10 1b2t s GLN 31 Ca 0.52 -1.00 0.16 0.00 0.02 0.00 0.00 55.36 55.07 1b2t s GLN 31 Cb -0.10 -2.53 0.80 0.00 1.00 0.00 0.00 33.01 32.18 1b2t s GLN 31 CO 0.67 0.45 1.49 0.00 -2.12 0.00 0.00 175.29 175.78 1b2t n ALA 32 N -0.49 1.87 0.39 6.09 0.00 -1.26 -1.90 120.51 125.20 1b2t n ALA 32 Ca -0.08 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1b2t n ALA 32 Cb 0.56 -1.27 0.22 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.34 3.38 -0.48 0.00 3.41 -1.26 -4.95 113.62 112.37 1b2t n SER 33 Ca 0.07 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1b2t n SER 33 Cb 0.15 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 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 5.00 -2.58 3.77 0.00 0.00 -1.26 -4.85 105.19 105.27 1b2t n GLY 35 Ca 0.00 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 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 4.03 -0.84 1.61 3.01 -1.24 -4.80 119.74 121.51 1b2t s LYS 36 Ca 0.00 2.30 -0.26 0.00 -1.01 0.00 0.00 55.97 57.00 1b2t s LYS 36 Cb 0.00 -2.85 -0.11 0.00 -1.01 0.00 0.00 37.83 33.86 1b2t s LYS 36 CO 0.00 -0.49 2.26 0.50 0.51 0.00 0.00 175.35 178.12 1b2t s ARG 37 N -2.16 1.87 0.00 1.68 3.52 -1.26 -4.63 118.95 117.97 1b2t s ARG 37 Ca 0.55 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 1b2t s ARG 37 Cb -0.41 -4.88 0.00 0.00 -1.56 0.00 0.00 34.95 28.10 1b2t s ARG 37 CO 0.54 -4.19 0.00 0.00 -0.81 0.00 0.00 175.30 170.84 1b2t n ALA 38 N 17.31 0.00 -2.41 6.12 0.00 -1.26 -4.92 120.51 135.35 1b2t n ALA 38 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1b2t n ALA 38 Cb 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.77 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 2.03 2.37 -0.15 0.00 -1.09 -0.44 -2.63 121.20 121.28 1b2t s ILE 39 Ca 0.00 -1.76 -0.06 0.00 -2.23 0.00 0.00 60.65 56.60 1b2t s ILE 39 Cb 0.00 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 1b2t s ILE 39 CO 0.00 0.06 0.04 -0.63 -1.23 0.00 0.00 174.94 173.18 1b2t s ILE 40 N -1.17 4.61 -0.24 2.92 -1.09 -0.90 -1.59 121.20 123.74 1b2t s ILE 40 Ca 0.16 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 1b2t s ILE 40 Cb -0.10 -3.04 0.04 0.00 -1.58 0.00 0.00 42.46 37.78 1b2t s ILE 40 CO 0.07 0.51 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.42 1b2t s LEU 41 N 0.02 3.05 -0.18 2.97 1.43 -0.70 0.02 118.68 125.30 1b2t s LEU 41 Ca 0.05 -1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1b2t s LEU 41 Cb -0.12 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1b2t s LEU 41 CO 0.01 -0.12 -0.05 -0.70 0.23 0.00 0.00 176.35 175.72 1b2t s GLU 42 N 1.24 3.51 0.36 1.70 2.12 -0.14 -2.09 118.70 125.40 1b2t s GLU 42 Ca -0.02 -0.59 0.07 0.00 0.36 0.00 0.00 54.97 54.80 1b2t s GLU 42 Cb -0.17 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1b2t s GLU 42 CO -0.07 0.04 0.37 0.95 -0.54 0.00 0.00 175.26 176.02 1b2t s THR 43 N 0.86 3.38 -0.72 -1.70 -4.23 -0.66 -1.65 115.64 110.91 1b2t s THR 43 Ca -0.01 -1.26 0.12 0.00 -1.18 0.00 0.00 61.69 59.35 1b2t s THR 43 Cb -0.15 -3.16 0.11 0.00 1.34 0.00 0.00 72.50 70.64 1b2t s THR 43 CO 0.01 -0.11 1.36 -2.11 -0.54 0.00 0.00 174.62 173.23 1b2t n ARG 44 N -1.51 0.06 -0.97 3.99 1.85 -0.80 -1.26 116.66 118.03 1b2t n ARG 44 Ca 0.01 0.48 -0.09 0.00 -1.00 0.00 0.00 57.85 57.24 1b2t n ARG 44 Cb 0.60 -1.67 0.24 0.00 -1.05 0.00 0.00 32.46 30.57 1b2t n ARG 44 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1b2t n GLN 45 N -1.80 2.73 -3.56 2.89 7.27 -1.26 -4.92 117.38 118.72 1b2t n GLN 45 Ca 0.01 -3.07 -0.20 0.00 0.07 0.00 0.00 57.00 53.81 1b2t n GLN 45 Cb 0.07 -2.07 0.07 0.00 2.41 0.00 0.00 30.24 30.72 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1b2t n HIS 46 N -0.74 -2.18 -3.55 3.69 8.25 -0.38 -4.96 115.22 115.34 1b2t n HIS 46 Ca 0.43 0.91 -0.41 0.00 -0.26 0.00 0.00 57.72 58.39 1b2t n HIS 46 Cb 1.34 -4.81 -0.10 0.00 1.12 0.00 0.00 29.99 27.54 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 -5.72 2.73 -0.39 -0.41 3.52 -1.23 -4.88 118.95 112.57 1b2t s ARG 47 Ca 0.10 -1.38 -0.05 0.00 -0.13 0.00 0.00 55.73 54.27 1b2t s ARG 47 Cb -0.04 -3.86 0.08 0.00 -1.56 0.00 0.00 34.95 29.57 1b2t s ARG 47 CO 0.76 -0.93 0.18 -0.51 -0.81 0.00 0.00 175.30 173.99 1b2t s LEU 48 N 1.50 4.94 0.27 -0.88 1.43 -1.22 -1.66 118.68 123.05 1b2t s LEU 48 Ca 0.03 -1.66 0.09 0.00 -1.03 0.00 0.00 54.13 51.56 1b2t s LEU 48 Cb -0.23 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1b2t s LEU 48 CO 0.04 -0.48 -0.14 -0.36 0.23 0.00 0.00 176.35 175.64 1b2t s PHE 49 N 1.28 2.10 -0.27 0.29 0.08 -0.89 -4.93 117.98 115.64 1b2t s PHE 49 Ca 0.03 -0.50 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 1b2t s PHE 49 Cb -0.22 -1.05 -0.05 0.00 -0.57 0.00 0.00 43.02 41.14 1b2t s PHE 49 CO -0.01 0.51 0.16 0.00 -0.10 0.00 0.00 175.22 175.78 1b2t s ALA 51 N 1.60 1.57 0.05 0.00 0.00 -0.62 -2.46 121.76 121.91 1b2t s ALA 51 Ca 0.07 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 1b2t s ALA 51 Cb -0.15 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 1b2t s ALA 51 CO 0.08 0.21 1.20 0.34 0.00 0.00 0.00 175.76 177.59 1b2t s ASP 52 N 0.40 7.08 0.31 0.00 2.15 -1.26 -1.32 116.67 124.03 1b2t s ASP 52 Ca -0.13 2.00 0.18 0.00 0.43 0.00 0.00 52.55 55.03 1b2t s ASP 52 Cb -0.15 -2.58 0.98 0.00 -0.30 0.00 0.00 42.92 40.87 1b2t s ASP 52 CO 0.05 -0.47 1.51 -2.65 -0.17 0.00 0.00 175.17 173.43 1b2t n PRO 53 N 4.00 0.12 0.18 4.34 -0.02 -1.26 -1.01 135.00 141.34 1b2t n PRO 53 Ca 0.09 0.61 0.03 0.00 -2.02 0.00 0.00 63.50 62.21 1b2t n PRO 53 Cb 0.46 -2.00 0.33 0.00 -0.02 0.00 0.00 33.50 32.27 1b2t n PRO 53 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1b2t h LYS 54 N 0.00 0.00 -6.60 -0.52 1.57 -1.99 -3.38 116.57 105.65 1b2t h LYS 54 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1b2t h LYS 54 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1b2t h LYS 54 CO 0.00 0.42 0.53 -1.21 -0.57 0.00 0.00 179.45 178.62 1b2t s GLU 55 N -3.83 4.51 0.11 3.15 2.02 -0.18 -4.94 118.70 119.54 1b2t s GLU 55 Ca -0.01 1.78 -0.29 0.00 0.02 0.00 0.00 54.97 56.47 1b2t s GLU 55 Cb 0.13 -3.29 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 1b2t s GLU 55 CO 0.71 -0.08 1.62 0.37 0.02 0.00 0.00 175.26 177.90 1b2t h GLN 56 N 5.70 -0.56 -0.30 1.61 -0.00 -1.88 -0.57 115.11 119.11 1b2t h GLN 56 Ca -0.43 0.04 0.09 0.00 -0.00 0.00 0.00 58.65 58.34 1b2t h GLN 56 Cb 1.21 0.13 -0.01 0.00 0.00 0.00 0.00 27.48 28.81 1b2t h GLN 56 CO 0.76 -0.37 0.72 0.11 0.00 0.00 0.00 178.83 180.05 1b2t h TRP 57 N -0.58 0.00 0.02 3.99 5.08 -1.95 0.37 115.95 122.88 1b2t h TRP 57 Ca 0.01 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.77 1b2t h TRP 57 Cb 0.58 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.71 1b2t h TRP 57 CO -0.25 0.00 -1.15 0.28 -1.28 0.00 0.00 178.44 176.04 1b2t h VAL 58 N 0.00 1.03 -0.85 0.12 2.07 -1.43 -2.16 116.25 115.02 1b2t h VAL 58 Ca 0.14 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 1b2t h VAL 58 Cb 1.58 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.77 1b2t h VAL 58 CO -0.00 0.43 0.45 0.11 0.02 0.00 0.00 177.57 178.58 1b2t h LYS 59 N -0.86 1.20 -0.11 1.57 1.57 0.14 -1.89 116.57 118.18 1b2t h LYS 59 Ca -0.30 -0.15 -0.17 0.00 -1.87 0.00 0.00 60.65 58.16 1b2t h LYS 59 Cb 1.36 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 33.45 1b2t h LYS 59 CO -0.13 0.89 -0.61 0.22 -0.57 0.00 0.00 179.45 179.25 1b2t h ASP 60 N 1.20 0.73 -0.64 0.86 1.82 -0.58 -2.35 116.42 117.45 1b2t h ASP 60 Ca 0.30 -0.65 0.13 0.00 -0.39 0.00 0.00 57.03 56.42 1b2t h ASP 60 Cb 0.05 -0.22 -0.10 0.00 0.68 0.00 0.00 39.33 39.75 1b2t h ASP 60 CO -0.05 1.26 0.12 0.00 -1.61 0.00 0.00 179.24 178.96 1b2t h ALA 61 N 0.49 0.76 0.32 -0.78 0.00 -1.06 0.34 119.26 119.33 1b2t h ALA 61 Ca -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1b2t h ALA 61 Cb 1.25 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1b2t h ALA 61 CO 0.13 -0.33 -0.15 0.52 0.00 0.00 0.00 179.25 179.41 1b2t h MET 62 N 0.24 -0.41 -0.10 0.00 2.86 -1.37 -2.48 114.93 113.67 1b2t h MET 62 Ca 0.35 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 58.04 1b2t h MET 62 Cb 0.55 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1b2t h MET 62 CO -0.46 -0.08 0.40 0.37 1.06 0.00 0.00 176.91 178.21 1b2t h GLN 63 N -0.85 0.00 0.24 1.72 4.15 -0.97 0.19 115.11 119.60 1b2t h GLN 63 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1b2t h GLN 63 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1b2t h GLN 63 CO 0.07 0.00 -0.12 1.25 -1.93 0.00 0.00 178.83 178.11 1b2t h HIS 64 N 0.00 -0.30 0.00 3.99 2.76 -0.02 -2.83 115.15 118.75 1b2t h HIS 64 Ca 0.05 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1b2t h HIS 64 Cb 0.86 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.91 1b2t h HIS 64 CO 0.00 -0.10 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.40 1b2t h LEU 65 N -1.06 0.00 -0.41 0.26 3.38 -0.78 -2.41 115.31 114.29 1b2t h LEU 65 Ca -0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1b2t h LEU 65 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1b2t h LEU 65 CO 0.05 0.06 -0.66 0.44 0.09 0.00 0.00 178.44 178.42 1b2t h ASP 66 N 0.00 0.62 -0.46 -0.43 5.19 -0.74 0.76 116.42 121.36 1b2t h ASP 66 Ca -0.00 -0.38 -0.25 0.00 -0.62 0.00 0.00 57.03 55.79 1b2t h ASP 66 Cb 0.33 -0.18 -0.14 0.00 0.18 0.00 0.00 39.33 39.51 1b2t h ASP 66 CO 0.01 1.12 0.31 -1.14 -3.12 0.00 0.00 179.24 176.41 1b2t n ARG 67 N -3.91 1.59 0.12 3.56 3.00 -0.91 -3.47 116.66 116.65 1b2t n ARG 67 Ca -0.04 -1.40 0.00 0.00 -0.00 0.00 0.00 57.85 56.40 1b2t n ARG 67 Cb 0.67 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.58 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 -0.24 0.00 0.06 -0.14 6.02 -1.16 -4.89 117.38 117.04 1b2t n GLN 68 Ca 0.28 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.34 1b2t n GLN 68 Cb 1.02 0.00 0.31 0.00 1.02 0.00 0.00 30.24 32.60 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b2t n ALA 69 N -3.08 1.33 0.87 -1.58 0.00 0.25 -1.69 120.51 116.61 1b2t n ALA 69 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.51 1b2t n ALA 69 Cb 0.00 -1.21 0.11 0.00 0.00 0.00 0.00 19.45 18.35 1b2t n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b2t n ALA 70 N -1.61 2.69 -2.28 0.00 0.00 -1.23 -3.80 120.51 114.29 1b2t n ALA 70 Ca 0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1b2t n ALA 70 Cb 0.10 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.57 1b2t n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b2t n ALA 71 N 0.16 2.02 -0.37 0.00 0.00 -0.68 -5.05 120.51 116.59 1b2t n ALA 71 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1b2t n ALA 71 Cb 0.36 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1b2t n ALA 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b2t n LEU 72 N -0.62 0.00 -4.49 0.00 7.99 -1.20 -4.81 117.00 113.86 1b2t n LEU 72 Ca -0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.41 1b2t n LEU 72 Cb 0.69 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.87 1b2t n LEU 72 CO -0.11 0.00 2.16 1.07 -1.51 0.00 0.00 177.39 178.99 1b2t n THR 73 N 0.00 -0.01 0.10 -5.08 5.66 -1.26 -4.59 114.28 109.11 1b2t n THR 73 Ca 0.00 -0.12 -0.05 0.00 -3.05 0.00 0.00 64.05 60.84 1b2t n THR 73 Cb 0.00 -0.84 0.04 0.00 -1.55 0.00 0.00 70.33 67.98 1b2t n THR 73 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1b2t h ARG 74 N 12.83 0.05 -4.07 1.09 3.08 -1.88 -3.38 114.38 122.09 1b2t h ARG 74 Ca -0.08 -0.05 -0.53 0.00 0.07 0.00 0.00 59.98 59.38 1b2t h ARG 74 Cb 1.31 0.01 -0.38 0.00 0.08 0.00 0.00 29.97 31.00 1b2t h ARG 74 CO 1.33 0.81 -0.79 1.21 -1.07 0.00 0.00 179.97 181.46 1b2t s ASN 75 N -6.82 2.62 0.00 7.04 3.04 -1.26 -4.74 114.94 114.82 1b2t s ASN 75 Ca -0.01 -0.57 0.00 0.00 0.04 0.00 0.00 52.86 52.32 1b2t s ASN 75 Cb 0.11 -0.83 0.00 0.00 -1.54 0.00 0.00 41.25 39.00 1b2t s ASN 75 CO 0.79 -0.19 0.00 0.61 -3.04 0.00 0.00 177.10 175.28