#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 3.45 0.00 0.03 1.13 -1.26 -4.95 117.38 115.78 1b2t n GLN 1 Ca 0.00 -4.71 0.00 0.00 -1.94 0.00 0.00 57.00 50.35 1b2t n GLN 1 Cb 0.00 -2.33 0.00 0.00 0.11 0.00 0.00 30.24 28.02 1b2t n GLN 1 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1b2t n HIS 2 N 0.51 0.00 -3.98 1.08 -0.00 -1.26 -4.61 115.22 106.96 1b2t n HIS 2 Ca 0.32 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.84 1b2t n HIS 2 Cb 0.37 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.20 1b2t n HIS 2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1b2t s HIS 3 N 0.00 0.58 0.00 1.57 3.76 -1.26 -5.05 115.29 114.89 1b2t s HIS 3 Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 1b2t s HIS 3 Cb 0.00 -0.62 0.00 0.00 1.11 0.00 0.00 32.58 33.07 1b2t s HIS 3 CO 0.00 -0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.09 1b2t n GLY 4 N 4.40 0.95 2.57 -2.22 0.00 -1.26 -5.02 105.19 104.60 1b2t n GLY 4 Ca -0.20 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 1b2t n GLY 4 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1b2t n VAL 5 N 2.97 2.12 0.57 1.61 0.24 -1.26 -4.10 118.33 120.48 1b2t n VAL 5 Ca 0.00 -4.68 0.06 0.00 -2.04 0.00 0.00 64.34 57.68 1b2t n VAL 5 Cb 0.00 -0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 31.45 1b2t n VAL 5 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1b2t n THR 6 N -0.34 0.00 -2.64 3.34 5.66 -1.26 -5.00 114.28 114.04 1b2t n THR 6 Ca 0.32 -0.32 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1b2t n THR 6 Cb 0.65 1.10 0.02 0.00 -1.55 0.00 0.00 70.33 70.56 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 -0.53 -1.93 0.00 1.09 4.81 -1.26 -5.00 118.16 115.34 1b2t n LYS 7 Ca 0.04 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1b2t n LYS 7 Cb 0.24 -3.37 0.00 0.00 0.02 0.00 0.00 35.03 31.93 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b2t h ASN 9 N 0.00 -0.62 -3.26 0.00 7.08 -1.96 -3.34 115.58 113.49 1b2t h ASN 9 Ca 0.00 0.25 -0.54 0.00 -3.08 0.00 0.00 56.30 52.93 1b2t h ASN 9 Cb 0.00 0.48 -0.40 0.00 -2.08 0.00 0.00 38.32 36.32 1b2t h ASN 9 CO 0.00 -0.27 -0.76 -0.51 -2.08 0.00 0.00 177.43 173.80 1b2t s ILE 10 N -6.16 0.65 -0.11 6.14 2.07 -1.26 -5.10 121.20 117.42 1b2t s ILE 10 Ca -0.14 -0.78 -0.03 0.00 -1.41 0.00 0.00 60.65 58.29 1b2t s ILE 10 Cb 0.25 -1.21 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1b2t s ILE 10 CO 0.76 -0.31 0.02 0.28 -1.91 0.00 0.00 174.94 173.78 1b2t s THR 11 N 1.79 4.46 -1.14 4.00 -1.32 -1.26 -4.87 115.64 117.30 1b2t s THR 11 Ca 0.01 -0.18 -0.21 0.00 -1.21 0.00 0.00 61.69 60.10 1b2t s THR 11 Cb -0.17 -2.91 0.02 0.00 -1.51 0.00 0.00 72.50 67.93 1b2t s THR 11 CO -0.12 0.57 1.72 0.00 -2.21 0.00 0.00 174.62 174.57 1b2t h SER 13 N 9.11 -0.08 -4.21 0.00 4.64 -1.96 -2.47 113.55 118.58 1b2t h SER 13 Ca 0.29 -0.55 -0.40 0.00 -0.47 0.00 0.00 61.79 60.66 1b2t h SER 13 Cb 0.94 0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.96 1b2t h SER 13 CO 1.38 0.60 -0.34 2.29 -0.87 0.00 0.00 176.83 179.89 1b2t n LYS 14 N -4.80 0.67 -4.74 4.77 -0.00 -1.26 -4.91 118.16 107.88 1b2t n LYS 14 Ca -0.08 -2.48 -0.33 0.00 -0.00 0.00 0.00 58.31 55.42 1b2t n LYS 14 Cb 0.30 1.37 -0.14 0.00 -0.00 0.00 0.00 35.03 36.57 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 -3.12 3.27 0.22 -1.58 -1.94 -1.26 -4.66 119.30 110.22 1b2t s MET 15 Ca 0.15 -0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 53.44 1b2t s MET 15 Cb 0.01 -2.63 0.05 0.00 2.01 0.00 0.00 34.83 34.27 1b2t s MET 15 CO 0.11 0.30 0.28 -2.37 -0.01 0.00 0.00 175.02 173.33 1b2t n THR 16 N 3.28 0.00 -3.47 2.05 5.66 -1.20 -5.08 114.28 115.53 1b2t n THR 16 Ca -0.18 -0.19 -0.22 0.00 -3.05 0.00 0.00 64.05 60.41 1b2t n THR 16 Cb 0.53 -1.77 0.01 0.00 -1.55 0.00 0.00 70.33 67.55 1b2t n THR 16 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1b2t s SER 17 N -2.05 4.95 -0.97 1.09 0.15 -1.26 -4.97 113.70 110.64 1b2t s SER 17 Ca 0.16 -0.95 -0.25 0.00 0.70 0.00 0.00 55.95 55.61 1b2t s SER 17 Cb -0.01 0.10 -0.18 0.00 -1.71 0.00 0.00 66.02 64.22 1b2t s SER 17 CO 0.11 -1.07 1.95 1.17 1.20 0.00 0.00 173.24 176.61 1b2t n LYS 18 N -1.89 0.94 -2.25 5.44 4.81 -1.26 -4.91 118.16 119.04 1b2t n LYS 18 Ca 0.06 -1.98 -0.40 0.00 -0.87 0.00 0.00 58.31 55.12 1b2t n LYS 18 Cb 0.62 -3.55 -0.03 0.00 0.02 0.00 0.00 35.03 32.09 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 11.82 3.00 0.25 3.15 1.01 -1.26 -4.95 121.20 134.22 1b2t s ILE 19 Ca 0.71 0.99 -0.31 0.00 0.00 0.00 0.00 60.65 62.04 1b2t s ILE 19 Cb 0.02 -3.62 -0.13 0.00 0.01 0.00 0.00 42.46 38.74 1b2t s ILE 19 CO 0.18 0.22 1.51 -0.81 0.00 0.00 0.00 174.94 176.03 1b2t n PRO 20 N 0.81 2.34 0.27 2.79 -0.04 -1.26 -4.88 135.00 135.02 1b2t n PRO 20 Ca 0.00 0.83 0.15 0.00 -0.04 0.00 0.00 63.50 64.45 1b2t n PRO 20 Cb 0.43 -2.56 0.73 0.00 -0.04 0.00 0.00 33.50 32.06 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 3.26 0.28 0.00 0.52 2.07 -1.93 -2.47 116.25 117.98 1b2t h VAL 21 Ca -0.46 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1b2t h VAL 21 Cb 1.25 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1b2t h VAL 21 CO 0.79 0.08 0.01 0.00 0.02 0.00 0.00 177.57 178.48 1b2t n ALA 22 N -2.17 1.01 -0.04 1.67 0.00 -1.26 -0.97 120.51 118.74 1b2t n ALA 22 Ca -0.01 0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.60 1b2t n ALA 22 Cb 0.28 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.10 0.00 -4.77 0.00 4.77 -0.93 -4.96 117.00 109.01 1b2t n LEU 23 Ca -0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 1b2t n LEU 23 Cb 0.04 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1b2t n LEU 23 CO 0.08 0.19 0.80 -0.76 -1.33 0.00 0.00 177.39 176.36 1b2t s LEU 24 N -4.65 4.32 0.00 2.23 1.43 -0.15 -1.29 118.68 120.58 1b2t s LEU 24 Ca -0.07 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1b2t s LEU 24 Cb 0.08 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1b2t s LEU 24 CO 0.68 -0.42 0.00 2.30 0.23 0.00 0.00 176.35 179.14 1b2t n ILE 25 N 0.48 0.00 -3.66 -0.59 -5.35 0.41 -4.80 119.36 105.85 1b2t n ILE 25 Ca 0.02 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.35 1b2t n ILE 25 Cb 0.46 -0.36 -0.08 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.52 -0.46 0.11 4.28 3.76 -0.95 -4.99 115.29 115.52 1b2t s HIS 26 Ca 0.00 0.92 0.06 0.00 -0.15 0.00 0.00 55.06 55.89 1b2t s HIS 26 Cb 0.00 0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.89 1b2t s HIS 26 CO 0.00 -0.42 -0.15 1.52 -0.85 0.00 0.00 174.74 174.83 1b2t s TYR 27 N -0.76 1.44 0.17 1.40 1.13 -1.26 0.26 117.35 119.73 1b2t s TYR 27 Ca -0.08 -0.50 -0.04 0.00 -1.41 0.00 0.00 57.07 55.04 1b2t s TYR 27 Cb -0.03 -0.77 -0.03 0.00 -1.10 0.00 0.00 41.96 40.03 1b2t s TYR 27 CO 0.05 0.14 0.16 1.14 -2.51 0.00 0.00 175.55 174.54 1b2t s GLN 28 N -2.32 1.11 0.74 -3.49 0.00 0.31 -4.97 119.66 111.04 1b2t s GLN 28 Ca 0.06 -1.43 -0.08 0.00 -0.00 0.00 0.00 55.36 53.91 1b2t s GLN 28 Cb -0.07 0.30 0.07 0.00 0.00 0.00 0.00 33.01 33.31 1b2t s GLN 28 CO 0.03 -0.37 1.07 -1.14 0.00 0.00 0.00 175.29 174.88 1b2t s GLN 29 N -4.06 2.06 0.06 9.60 2.00 -1.26 0.35 119.66 128.42 1b2t s GLN 29 Ca 0.27 -0.20 0.05 0.00 -2.00 0.00 0.00 55.36 53.49 1b2t s GLN 29 Cb 0.06 -2.11 -0.04 0.00 0.80 0.00 0.00 33.01 31.72 1b2t s GLN 29 CO 0.05 -1.38 -0.06 1.21 -0.50 0.00 0.00 175.29 174.61 1b2t s ASN 30 N -4.55 4.63 0.30 6.67 2.47 -1.24 -4.65 114.94 118.57 1b2t s ASN 30 Ca 0.61 -0.25 -0.28 0.00 0.42 0.00 0.00 52.86 53.36 1b2t s ASN 30 Cb -0.10 -1.01 -0.09 0.00 -1.45 0.00 0.00 41.25 38.59 1b2t s ASN 30 CO 0.46 0.21 1.06 -1.10 -3.72 0.00 0.00 177.10 174.01 1b2t s GLN 31 N -1.95 4.55 0.00 0.43 -0.21 -1.26 -4.91 119.66 116.31 1b2t s GLN 31 Ca 0.21 1.67 0.13 0.00 0.02 0.00 0.00 55.36 57.39 1b2t s GLN 31 Cb -0.11 -3.03 0.65 0.00 1.00 0.00 0.00 33.01 31.51 1b2t s GLN 31 CO 0.13 0.17 1.34 0.00 -2.12 0.00 0.00 175.29 174.81 1b2t n ALA 32 N 0.90 1.74 -0.96 6.09 0.00 -1.26 -1.83 120.51 125.20 1b2t n ALA 32 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1b2t n ALA 32 Cb 0.46 -1.21 0.32 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.31 4.59 0.00 0.00 3.41 -1.26 -4.76 113.62 114.29 1b2t n SER 33 Ca 0.06 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 1b2t n SER 33 Cb 0.11 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 3.24 3.58 3.77 0.00 0.00 -1.26 -4.83 105.19 109.69 1b2t n GLY 35 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 3.34 3.88 -1.10 1.61 1.02 -0.93 -4.88 119.74 122.68 1b2t s LYS 36 Ca 0.00 1.77 -0.22 0.00 0.02 0.00 0.00 55.97 57.54 1b2t s LYS 36 Cb 0.00 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 1b2t s LYS 36 CO 0.00 -0.45 1.84 1.03 -0.92 0.00 0.00 175.35 176.85 1b2t s ARG 37 N -2.57 2.91 0.06 1.68 0.52 -1.26 -4.54 118.95 115.75 1b2t s ARG 37 Ca 0.61 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1b2t s ARG 37 Cb -0.29 -5.25 -0.00 0.00 0.52 0.00 0.00 34.95 29.93 1b2t s ARG 37 CO 0.35 -3.27 0.01 0.00 0.02 0.00 0.00 175.30 172.41 1b2t n ALA 38 N 12.52 0.07 -2.66 2.13 0.00 -1.26 -4.71 120.51 126.61 1b2t n ALA 38 Ca 0.42 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 1b2t n ALA 38 Cb 0.47 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.60 3.56 -0.17 0.00 -1.09 -0.51 -3.68 121.20 117.72 1b2t s ILE 39 Ca 0.02 -1.74 -0.05 0.00 -2.23 0.00 0.00 60.65 56.65 1b2t s ILE 39 Cb 0.00 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.98 1b2t s ILE 39 CO 0.01 -0.29 -0.01 -0.63 -1.23 0.00 0.00 174.94 172.79 1b2t s ILE 40 N -2.12 4.12 -0.16 2.92 -1.09 0.16 0.30 121.20 125.32 1b2t s ILE 40 Ca 0.30 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 1b2t s ILE 40 Cb -0.07 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 37.99 1b2t s ILE 40 CO 0.20 0.48 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.44 1b2t s LEU 41 N 0.42 2.29 -0.16 2.97 1.43 -0.24 -0.53 118.68 124.87 1b2t s LEU 41 Ca -0.02 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1b2t s LEU 41 Cb -0.14 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 1b2t s LEU 41 CO 0.02 0.06 -0.07 -0.70 0.23 0.00 0.00 176.35 175.89 1b2t s GLU 42 N 0.97 3.55 0.33 1.70 2.12 0.14 -1.97 118.70 125.55 1b2t s GLU 42 Ca -0.03 -0.58 0.07 0.00 0.36 0.00 0.00 54.97 54.79 1b2t s GLU 42 Cb -0.15 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 1b2t s GLU 42 CO -0.04 0.18 0.34 0.95 -0.54 0.00 0.00 175.26 176.15 1b2t s THR 43 N 0.50 3.74 0.16 -1.70 -4.23 -0.70 -0.45 115.64 112.96 1b2t s THR 43 Ca -0.05 -1.26 0.24 0.00 -1.18 0.00 0.00 61.69 59.45 1b2t s THR 43 Cb -0.15 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.67 1b2t s THR 43 CO 0.03 -0.18 1.72 0.03 -0.54 0.00 0.00 174.62 175.68 1b2t h ARG 44 N 1.15 0.00 -0.86 3.99 3.08 -1.50 0.67 114.38 120.91 1b2t h ARG 44 Ca -0.45 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.08 1b2t h ARG 44 Cb 1.25 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.02 1b2t h ARG 44 CO 0.57 0.00 0.45 1.04 -1.07 0.00 0.00 179.97 180.96 1b2t n GLN 45 N -2.44 2.48 -3.90 0.04 6.02 -1.26 -4.91 117.38 113.40 1b2t n GLN 45 Ca -0.02 -3.27 -0.26 0.00 -0.01 0.00 0.00 57.00 53.44 1b2t n GLN 45 Cb 0.19 -2.17 -0.01 0.00 1.02 0.00 0.00 30.24 29.27 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 -1.02 -1.69 -3.57 1.08 8.25 0.22 -4.93 115.22 113.57 1b2t n HIS 46 Ca 0.55 0.70 -0.41 0.00 -0.26 0.00 0.00 57.72 58.30 1b2t n HIS 46 Cb 1.12 -3.74 -0.10 0.00 1.12 0.00 0.00 29.99 28.39 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 -6.45 2.77 -0.35 -0.41 3.52 -1.22 -4.86 118.95 111.95 1b2t s ARG 47 Ca 0.07 -1.24 -0.10 0.00 -0.13 0.00 0.00 55.73 54.33 1b2t s ARG 47 Cb -0.03 -3.80 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 1b2t s ARG 47 CO 0.88 -0.83 0.17 -0.51 -0.81 0.00 0.00 175.30 174.20 1b2t s LEU 48 N 1.52 4.45 0.04 -0.88 1.43 -1.24 -1.72 118.68 122.29 1b2t s LEU 48 Ca 0.02 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1b2t s LEU 48 Cb -0.21 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1b2t s LEU 48 CO 0.05 -0.32 -0.13 -0.36 0.23 0.00 0.00 176.35 175.82 1b2t s PHE 49 N 1.53 1.12 -0.51 0.29 0.40 -0.83 -4.93 117.98 115.05 1b2t s PHE 49 Ca 0.02 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 55.75 1b2t s PHE 49 Cb -0.19 -0.66 0.04 0.00 0.51 0.00 0.00 43.02 42.73 1b2t s PHE 49 CO 0.06 0.02 0.83 0.00 0.70 0.00 0.00 175.22 176.83 1b2t s ALA 51 N 3.48 3.14 0.19 0.00 0.00 0.15 -3.25 121.76 125.47 1b2t s ALA 51 Ca 0.27 -1.60 -0.33 0.00 0.00 0.00 0.00 51.96 50.31 1b2t s ALA 51 Cb -0.14 -2.32 -0.13 0.00 0.00 0.00 0.00 23.12 20.53 1b2t s ALA 51 CO 0.19 -1.16 1.57 -0.25 0.00 0.00 0.00 175.76 176.12 1b2t n ASP 52 N 4.90 3.25 -0.28 0.00 8.00 -1.26 -1.42 116.55 129.73 1b2t n ASP 52 Ca -0.13 1.09 0.04 0.00 0.71 0.00 0.00 54.79 56.50 1b2t n ASP 52 Cb 0.47 -1.47 0.18 0.00 -0.02 0.00 0.00 41.12 40.28 1b2t n ASP 52 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1b2t h PRO 53 N 5.68 0.65 -0.40 -0.24 0.11 -1.91 -0.23 132.00 135.66 1b2t h PRO 53 Ca -0.45 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1b2t h PRO 53 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1b2t h PRO 53 CO 0.87 0.43 0.67 0.87 -0.21 0.00 0.00 178.00 180.63 1b2t h LYS 54 N 0.66 0.00 -6.44 1.05 1.57 -1.95 -3.39 116.57 108.08 1b2t h LYS 54 Ca 0.41 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.65 1b2t h LYS 54 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1b2t h LYS 54 CO -0.30 0.00 0.59 -1.21 -0.57 0.00 0.00 179.45 177.96 1b2t s GLU 55 N -4.36 4.42 0.10 3.15 2.02 -0.10 -4.95 118.70 118.97 1b2t s GLU 55 Ca -0.03 1.73 -0.24 0.00 0.02 0.00 0.00 54.97 56.45 1b2t s GLU 55 Cb 0.11 -3.41 -0.13 0.00 0.10 0.00 0.00 34.13 30.81 1b2t s GLU 55 CO 0.39 -0.29 1.72 0.37 0.02 0.00 0.00 175.26 177.46 1b2t h GLN 56 N 6.98 -0.12 -0.45 1.61 -0.00 -1.87 -1.75 115.11 119.52 1b2t h GLN 56 Ca -0.40 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.39 1b2t h GLN 56 Cb 1.20 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.69 1b2t h GLN 56 CO 0.83 -0.08 0.75 0.11 0.00 0.00 0.00 178.83 180.44 1b2t h TRP 57 N -0.12 0.00 0.05 3.99 5.08 -1.92 0.16 115.95 123.18 1b2t h TRP 57 Ca 0.01 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.72 1b2t h TRP 57 Cb 0.13 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.26 1b2t h TRP 57 CO -0.11 0.00 -1.39 0.28 -1.28 0.00 0.00 178.44 175.94 1b2t h VAL 58 N 0.00 0.91 -0.68 0.12 2.07 -1.63 -2.13 116.25 114.90 1b2t h VAL 58 Ca 0.21 -2.26 0.02 0.00 0.82 0.00 0.00 66.70 65.49 1b2t h VAL 58 Cb 1.72 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 33.88 1b2t h VAL 58 CO -0.00 0.53 0.44 0.11 0.02 0.00 0.00 177.57 178.67 1b2t h LYS 59 N -0.63 0.85 -0.00 1.57 1.57 -0.30 0.12 116.57 119.74 1b2t h LYS 59 Ca -0.34 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1b2t h LYS 59 Cb 1.54 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1b2t h LYS 59 CO -0.08 0.56 -0.13 -0.44 -0.57 0.00 0.00 179.45 178.79 1b2t h ASP 60 N 0.88 0.11 -0.93 0.86 3.32 -1.08 -2.22 116.42 117.36 1b2t h ASP 60 Ca 0.26 -0.77 0.15 0.00 0.02 0.00 0.00 57.03 56.69 1b2t h ASP 60 Cb -0.04 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.38 1b2t h ASP 60 CO -0.08 0.87 0.54 0.00 -1.72 0.00 0.00 179.24 178.85 1b2t h ALA 61 N 0.24 1.44 0.25 3.45 0.00 -1.24 -1.74 119.26 121.67 1b2t h ALA 61 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1b2t h ALA 61 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1b2t h ALA 61 CO 0.02 0.03 -0.12 0.52 0.00 0.00 0.00 179.25 179.70 1b2t h MET 62 N 0.78 -0.32 -1.28 0.00 2.86 -0.82 -2.48 114.93 113.67 1b2t h MET 62 Ca 0.50 0.02 0.37 0.00 -2.06 0.00 0.00 59.70 58.53 1b2t h MET 62 Cb 0.65 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 1b2t h MET 62 CO -0.33 0.04 1.05 1.96 1.06 0.00 0.00 176.91 180.68 1b2t h GLN 63 N -0.86 0.00 0.22 1.72 1.08 -0.98 0.16 115.11 116.44 1b2t h GLN 63 Ca -0.03 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1b2t h GLN 63 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1b2t h GLN 63 CO 0.06 0.00 -0.10 1.25 -0.95 0.00 0.00 178.83 179.08 1b2t h HIS 64 N 0.00 -0.27 -1.01 2.96 2.76 -1.17 -2.85 115.15 115.57 1b2t h HIS 64 Ca 0.61 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 59.01 1b2t h HIS 64 Cb 2.69 0.09 -0.12 0.00 1.55 0.00 0.00 27.41 31.62 1b2t h HIS 64 CO 0.00 -0.12 0.61 -0.07 -1.30 0.00 0.00 177.93 177.05 1b2t h LEU 65 N -1.06 0.66 0.64 0.26 3.38 -0.30 -1.56 115.31 117.33 1b2t h LEU 65 Ca -0.03 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1b2t h LEU 65 Cb 0.27 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1b2t h LEU 65 CO 0.05 0.12 -0.31 0.44 0.09 0.00 0.00 178.44 178.84 1b2t h ASP 66 N 0.58 -0.72 -1.46 -0.43 5.19 -1.13 -2.09 116.42 116.36 1b2t h ASP 66 Ca 0.63 -0.01 0.45 0.00 -0.62 0.00 0.00 57.03 57.48 1b2t h ASP 66 Cb 1.22 0.19 -0.11 0.00 0.18 0.00 0.00 39.33 40.81 1b2t h ASP 66 CO -0.44 -0.43 0.99 0.03 -3.12 0.00 0.00 179.24 176.27 1b2t h ARG 67 N -1.00 0.06 0.13 3.56 3.08 -1.04 1.13 114.38 120.30 1b2t h ARG 67 Ca -0.09 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1b2t h ARG 67 Cb 0.69 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1b2t h ARG 67 CO 0.14 0.04 -0.06 1.96 -1.07 0.00 0.00 179.97 180.98 1b2t h GLN 68 N 0.07 -0.17 -0.59 0.04 7.50 -1.19 -2.22 115.11 118.54 1b2t h GLN 68 Ca 0.82 0.01 -0.05 0.00 0.50 0.00 0.00 58.65 59.92 1b2t h GLN 68 Cb 2.81 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 30.35 1b2t h GLN 68 CO -0.27 0.29 0.15 0.00 -1.50 0.00 0.00 178.83 177.50 1b2t h ALA 69 N -0.34 1.15 0.00 3.87 0.00 0.08 -1.77 119.26 122.25 1b2t h ALA 69 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1b2t h ALA 69 Cb 0.53 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1b2t h ALA 69 CO 0.03 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1b2t n ALA 70 N -2.46 1.95 0.25 0.00 0.00 0.36 -3.18 120.51 117.43 1b2t n ALA 70 Ca 0.04 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1b2t n ALA 70 Cb 0.23 -1.40 0.71 0.00 0.00 0.00 0.00 19.45 18.99 1b2t n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b2t h ALA 71 N 2.50 1.15 0.00 0.00 0.00 -0.66 -2.55 119.26 119.70 1b2t h ALA 71 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1b2t h ALA 71 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1b2t h ALA 71 CO 0.00 -0.15 -1.60 1.28 0.00 0.00 0.00 179.25 178.78 1b2t n LEU 72 N -2.54 1.92 -3.88 0.00 7.99 -1.19 -4.85 117.00 114.44 1b2t n LEU 72 Ca -0.02 0.39 -0.30 0.00 -0.01 0.00 0.00 56.01 56.07 1b2t n LEU 72 Cb 0.22 -0.83 -0.14 0.00 -0.11 0.00 0.00 43.42 42.56 1b2t n LEU 72 CO 0.12 0.13 -0.25 0.42 -1.51 0.00 0.00 177.39 176.29 1b2t s THR 73 N -2.57 2.02 0.00 -5.08 -4.23 -0.98 -5.02 115.64 99.78 1b2t s THR 73 Ca -0.31 -2.67 0.00 0.00 -1.18 0.00 0.00 61.69 57.52 1b2t s THR 73 Cb 0.08 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1b2t s THR 73 CO 0.45 -0.76 0.12 -1.14 -0.54 0.00 0.00 174.62 172.75 1b2t n ARG 74 N 3.69 0.00 -0.02 3.99 3.00 -1.09 -4.71 116.66 121.52 1b2t n ARG 74 Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.86 1b2t n ARG 74 Cb 0.36 -0.50 -0.02 0.00 0.00 0.00 0.00 32.46 32.30 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 -0.30 2.71 0.00 6.15 2.85 -1.26 -5.07 115.26 120.35 1b2t n ASN 75 Ca 0.00 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1b2t n ASN 75 Cb 0.00 -0.10 0.00 0.00 1.24 0.00 0.00 39.78 40.92 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76