#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 -4.50 -2.81 3.17 1.13 -1.26 -4.82 117.38 108.29 1b2t n GLN 1 Ca 0.00 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 1b2t n GLN 1 Cb 0.00 -5.15 0.00 0.00 0.11 0.00 0.00 30.24 25.20 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 -4.48 0.00 0.00 1.08 -0.00 -1.26 -5.05 115.22 105.52 1b2t n HIS 2 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 1b2t n HIS 2 Cb 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 1b2t n HIS 2 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1b2t n HIS 3 N 3.55 0.00 -3.88 1.57 8.25 -1.26 -4.80 115.22 118.65 1b2t n HIS 3 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1b2t n HIS 3 Cb 0.00 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 30.96 1b2t n HIS 3 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1b2t s GLY 4 N -0.30 0.26 -0.72 -1.41 0.00 -1.26 -5.07 107.32 98.82 1b2t s GLY 4 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.12 1b2t s GLY 4 CO 0.00 -0.54 1.54 1.55 0.00 0.00 0.00 173.10 175.64 1b2t n VAL 5 N -0.31 3.65 -4.91 1.40 3.14 -1.26 -4.03 118.33 116.00 1b2t n VAL 5 Ca -0.07 -5.04 -0.27 0.00 -2.96 0.00 0.00 64.34 56.00 1b2t n VAL 5 Cb 0.62 -1.34 -0.16 0.00 -1.06 0.00 0.00 33.84 31.90 1b2t n VAL 5 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1b2t s THR 6 N -4.97 1.56 0.00 1.55 -4.23 -1.26 -4.84 115.64 103.46 1b2t s THR 6 Ca 0.48 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1b2t s THR 6 Cb 0.35 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1b2t s THR 6 CO -0.25 0.45 0.00 2.29 -0.54 0.00 0.00 174.62 176.57 1b2t n LYS 7 N 3.26 0.00 -1.75 3.99 2.85 -1.26 -5.11 118.16 120.14 1b2t n LYS 7 Ca -0.19 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.72 1b2t n LYS 7 Cb 0.53 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.97 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b2t n ASN 9 N -2.04 0.22 -3.65 0.00 6.94 -1.26 -2.60 115.26 112.86 1b2t n ASN 9 Ca 0.14 1.23 -0.29 0.00 -0.02 0.00 0.00 54.58 55.63 1b2t n ASN 9 Cb 0.49 -0.58 -0.13 0.00 -2.36 0.00 0.00 39.78 37.21 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 -5.18 1.09 -0.13 1.53 2.07 -1.26 -5.11 121.20 114.20 1b2t s ILE 10 Ca -0.07 -2.32 -0.05 0.00 -1.41 0.00 0.00 60.65 56.80 1b2t s ILE 10 Cb 0.25 -1.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.03 1b2t s ILE 10 CO 0.58 -0.91 0.04 -0.89 -1.91 0.00 0.00 174.94 171.84 1b2t s THR 11 N 0.55 4.63 -1.23 4.00 2.01 -1.07 -4.69 115.64 119.84 1b2t s THR 11 Ca 0.18 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.02 1b2t s THR 11 Cb -0.24 -3.02 0.12 0.00 0.01 0.00 0.00 72.50 69.37 1b2t s THR 11 CO 0.00 0.54 2.39 0.00 -0.69 0.00 0.00 174.62 176.87 1b2t n SER 13 N 1.55 0.46 -3.70 0.00 2.88 -1.26 -4.26 113.62 109.29 1b2t n SER 13 Ca 0.61 0.57 -0.13 0.00 -1.33 0.00 0.00 58.87 58.59 1b2t n SER 13 Cb 0.27 -0.69 -0.07 0.00 -0.75 0.00 0.00 64.21 62.98 1b2t n SER 13 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1b2t s LYS 14 N -3.13 0.84 -0.06 -1.46 -0.14 -1.26 -5.11 119.74 109.41 1b2t s LYS 14 Ca 0.09 -0.31 -0.19 0.00 -1.36 0.00 0.00 55.97 54.21 1b2t s LYS 14 Cb 0.12 0.37 -0.05 0.00 -1.68 0.00 0.00 37.83 36.60 1b2t s LYS 14 CO 0.46 -0.27 0.51 -1.64 -0.76 0.00 0.00 175.35 173.65 1b2t s MET 15 N -2.11 4.28 0.00 1.68 -1.94 -1.26 -4.63 119.30 115.31 1b2t s MET 15 Ca -0.08 0.54 0.00 0.00 -1.71 0.00 0.00 55.69 54.45 1b2t s MET 15 Cb -0.02 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.44 1b2t s MET 15 CO 0.00 0.30 0.00 -2.37 -0.01 0.00 0.00 175.02 172.94 1b2t n THR 16 N 3.12 0.00 -3.42 2.05 5.66 -0.84 -5.05 114.28 115.80 1b2t n THR 16 Ca -0.08 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.73 1b2t n THR 16 Cb 0.52 -1.35 0.03 0.00 -1.55 0.00 0.00 70.33 67.97 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 -2.84 2.13 -4.61 1.09 7.64 -1.26 -5.00 113.62 110.77 1b2t n SER 17 Ca 0.00 -2.45 -0.43 0.00 1.01 0.00 0.00 58.87 57.00 1b2t n SER 17 Cb 0.00 -0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 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 -4.06 3.78 -0.07 1.43 2.20 -1.26 -5.01 119.74 116.74 1b2t s LYS 18 Ca 0.39 0.84 0.01 0.00 -0.36 0.00 0.00 55.97 56.86 1b2t s LYS 18 Cb -0.03 -3.90 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1b2t s LYS 18 CO 0.25 -1.30 -0.10 0.42 -0.36 0.00 0.00 175.35 174.26 1b2t s ILE 19 N 4.52 3.44 0.10 5.43 1.01 -1.26 -5.08 121.20 129.36 1b2t s ILE 19 Ca 0.52 -0.57 -0.32 0.00 0.00 0.00 0.00 60.65 60.28 1b2t s ILE 19 Cb -0.11 -2.40 -0.11 0.00 0.01 0.00 0.00 42.46 39.85 1b2t s ILE 19 CO 0.28 0.58 1.80 -0.81 0.00 0.00 0.00 174.94 176.80 1b2t n PRO 20 N 2.43 2.60 0.32 2.79 -0.04 -1.26 -4.85 135.00 136.99 1b2t n PRO 20 Ca -0.18 0.95 0.20 0.00 -0.04 0.00 0.00 63.50 64.43 1b2t n PRO 20 Cb 0.53 -2.82 1.11 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 0.18 0.00 0.52 2.07 -1.94 -1.30 116.25 120.39 1b2t h VAL 21 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1b2t h VAL 21 Cb 1.23 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1b2t h VAL 21 CO 0.94 0.00 0.16 0.00 0.02 0.00 0.00 177.57 178.69 1b2t h ALA 22 N 1.98 1.13 0.00 1.67 0.00 -2.02 0.41 119.26 122.43 1b2t h ALA 22 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1b2t h ALA 22 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1b2t h ALA 22 CO -0.00 -0.13 -1.97 1.28 0.00 0.00 0.00 179.25 178.44 1b2t n LEU 23 N -2.44 0.00 -4.70 0.00 4.77 -0.49 -4.97 117.00 109.17 1b2t n LEU 23 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1b2t n LEU 23 Cb 0.20 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1b2t n LEU 23 CO 0.11 0.26 1.30 0.18 -1.33 0.00 0.00 177.39 177.90 1b2t n LEU 24 N -2.42 3.70 -0.05 2.23 4.77 0.13 -0.69 117.00 124.68 1b2t n LEU 24 Ca -0.18 1.08 -0.06 0.00 -0.03 0.00 0.00 56.01 56.81 1b2t n LEU 24 Cb 0.82 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.34 1b2t n LEU 24 CO 0.34 0.01 -0.80 2.30 -1.33 0.00 0.00 177.39 177.90 1b2t n ILE 25 N 3.61 0.56 -3.72 -0.08 -5.35 0.01 -4.81 119.36 109.58 1b2t n ILE 25 Ca 0.16 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 1b2t n ILE 25 Cb 0.33 -0.83 -0.07 0.00 -1.74 0.00 0.00 39.64 37.33 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 -2.19 -0.16 -0.00 4.28 3.76 -0.97 -5.01 115.29 114.98 1b2t s HIS 26 Ca -0.10 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 1b2t s HIS 26 Cb 0.03 0.15 -0.00 0.00 1.11 0.00 0.00 32.58 33.86 1b2t s HIS 26 CO 0.26 -0.54 -0.06 1.52 -0.85 0.00 0.00 174.74 175.06 1b2t s TYR 27 N -2.66 0.57 0.25 1.40 1.13 -1.26 -1.33 117.35 115.45 1b2t s TYR 27 Ca -0.04 -0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.52 1b2t s TYR 27 Cb -0.00 -0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 40.45 1b2t s TYR 27 CO -0.04 -0.01 0.15 1.14 -2.51 0.00 0.00 175.55 174.28 1b2t s GLN 28 N -0.14 1.40 -0.20 -3.49 0.00 -0.26 -5.00 119.66 111.96 1b2t s GLN 28 Ca 0.02 -1.76 -0.07 0.00 -0.00 0.00 0.00 55.36 53.55 1b2t s GLN 28 Cb -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 33.01 33.03 1b2t s GLN 28 CO -0.00 -0.41 0.05 -1.14 0.00 0.00 0.00 175.29 173.79 1b2t s GLN 29 N -3.98 3.84 -0.01 9.60 0.74 -1.26 0.25 119.66 128.85 1b2t s GLN 29 Ca 0.38 -0.41 -0.34 0.00 0.05 0.00 0.00 55.36 55.04 1b2t s GLN 29 Cb 0.06 -3.20 -0.17 0.00 1.10 0.00 0.00 33.01 30.80 1b2t s GLN 29 CO 0.15 0.14 0.91 -1.71 -0.55 0.00 0.00 175.29 174.23 1b2t n ASN 30 N 3.93 0.01 -4.44 6.67 2.85 -1.22 -4.79 115.26 118.28 1b2t n ASN 30 Ca -0.16 0.98 -0.37 0.00 -0.11 0.00 0.00 54.58 54.92 1b2t n ASN 30 Cb 0.52 -0.78 0.05 0.00 1.24 0.00 0.00 39.78 40.81 1b2t n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1b2t n GLN 31 N 1.31 0.36 -0.87 1.20 6.02 -1.26 -4.76 117.38 119.39 1b2t n GLN 31 Ca 0.17 0.15 -0.18 0.00 -0.01 0.00 0.00 57.00 57.14 1b2t n GLN 31 Cb 0.07 -1.69 -0.09 0.00 1.02 0.00 0.00 30.24 29.55 1b2t n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b2t n ALA 32 N -2.02 5.52 0.00 -1.58 0.00 -1.26 -3.00 120.51 118.17 1b2t n ALA 32 Ca 0.10 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1b2t n ALA 32 Cb 0.49 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 3.14 0.00 0.00 0.00 3.41 -1.26 -5.10 113.62 113.81 1b2t n SER 33 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1b2t n SER 33 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 3.41 4.50 3.97 0.00 0.00 -1.26 -4.64 105.19 111.17 1b2t n GLY 35 Ca 0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 3.83 1.27 -1.15 1.61 3.01 -1.26 -4.93 119.74 122.13 1b2t s LYS 36 Ca 0.00 -0.87 -0.12 0.00 -1.01 0.00 0.00 55.97 53.97 1b2t s LYS 36 Cb 0.00 -2.15 -0.07 0.00 -1.01 0.00 0.00 37.83 34.60 1b2t s LYS 36 CO 0.00 -1.82 2.28 -2.13 0.51 0.00 0.00 175.35 174.19 1b2t n ARG 37 N -3.19 2.46 -2.89 1.68 3.00 -1.26 -4.86 116.66 111.61 1b2t n ARG 37 Ca 0.15 -1.95 -0.15 0.00 -0.00 0.00 0.00 57.85 55.90 1b2t n ARG 37 Cb 0.60 -2.81 -0.00 0.00 0.00 0.00 0.00 32.46 30.25 1b2t n ARG 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b2t n ALA 38 N 5.26 0.47 -2.57 5.13 0.00 -1.26 -4.81 120.51 122.73 1b2t n ALA 38 Ca 0.55 -1.27 -0.24 0.00 0.00 0.00 0.00 53.44 52.48 1b2t n ALA 38 Cb 0.27 0.54 -0.08 0.00 0.00 0.00 0.00 19.45 20.18 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 3.02 -0.16 0.00 -1.09 -0.60 -3.39 121.20 117.38 1b2t s ILE 39 Ca 0.17 -1.98 -0.02 0.00 -2.23 0.00 0.00 60.65 56.58 1b2t s ILE 39 Cb -0.01 -2.76 -0.02 0.00 -1.58 0.00 0.00 42.46 38.09 1b2t s ILE 39 CO 0.11 -0.31 -0.08 -0.63 -1.23 0.00 0.00 174.94 172.80 1b2t s ILE 40 N -2.42 3.44 -0.10 2.92 -1.09 0.14 -1.43 121.20 122.67 1b2t s ILE 40 Ca 0.33 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.27 1b2t s ILE 40 Cb -0.04 -2.50 -0.01 0.00 -1.58 0.00 0.00 42.46 38.33 1b2t s ILE 40 CO 0.19 0.49 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.44 1b2t s LEU 41 N 0.61 2.36 -0.12 2.97 1.43 0.42 -1.10 118.68 125.24 1b2t s LEU 41 Ca -0.05 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1b2t s LEU 41 Cb -0.15 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1b2t s LEU 41 CO 0.03 0.19 -0.15 -0.70 0.23 0.00 0.00 176.35 175.95 1b2t s GLU 42 N 0.16 2.25 0.27 1.70 2.12 -0.44 -1.50 118.70 123.25 1b2t s GLU 42 Ca -0.11 -0.56 0.07 0.00 0.36 0.00 0.00 54.97 54.73 1b2t s GLU 42 Cb -0.16 -1.96 -0.03 0.00 0.26 0.00 0.00 34.13 32.24 1b2t s GLU 42 CO 0.06 -0.12 0.24 0.95 -0.54 0.00 0.00 175.26 175.86 1b2t s THR 43 N 1.14 4.35 -0.26 -1.70 -4.23 -0.68 -0.81 115.64 113.45 1b2t s THR 43 Ca -0.03 -1.33 0.14 0.00 -1.18 0.00 0.00 61.69 59.29 1b2t s THR 43 Cb -0.14 -3.41 0.14 0.00 1.34 0.00 0.00 72.50 70.42 1b2t s THR 43 CO -0.04 -0.31 1.38 0.54 -0.54 0.00 0.00 174.62 175.65 1b2t n ARG 44 N -1.26 0.09 -1.22 3.99 1.74 0.13 -0.89 116.66 119.24 1b2t n ARG 44 Ca -0.06 0.57 -0.23 0.00 -0.77 0.00 0.00 57.85 57.36 1b2t n ARG 44 Cb 0.58 -1.92 0.15 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.01 2.35 -3.80 5.56 6.02 -1.26 -4.90 117.38 119.34 1b2t n GLN 45 Ca -0.01 -3.19 -0.24 0.00 -0.01 0.00 0.00 57.00 53.55 1b2t n GLN 45 Cb 0.14 -2.14 0.02 0.00 1.02 0.00 0.00 30.24 29.28 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 -1.06 -1.94 -3.48 1.08 8.25 -0.07 -4.93 115.22 113.07 1b2t n HIS 46 Ca 0.54 0.84 -0.43 0.00 -0.26 0.00 0.00 57.72 58.41 1b2t n HIS 46 Cb 1.25 -4.16 -0.07 0.00 1.12 0.00 0.00 29.99 28.13 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 -6.24 2.66 -0.66 -0.41 3.52 -1.20 -4.90 118.95 111.73 1b2t s ARG 47 Ca 0.15 -1.71 -0.10 0.00 -0.13 0.00 0.00 55.73 53.94 1b2t s ARG 47 Cb -0.08 -4.04 0.17 0.00 -1.56 0.00 0.00 34.95 29.45 1b2t s ARG 47 CO 0.83 -1.21 0.55 -0.51 -0.81 0.00 0.00 175.30 174.15 1b2t s LEU 48 N 1.45 6.05 0.15 -0.88 1.43 -1.24 -1.69 118.68 123.95 1b2t s LEU 48 Ca 0.05 -2.45 0.09 0.00 -1.03 0.00 0.00 54.13 50.79 1b2t s LEU 48 Cb -0.27 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1b2t s LEU 48 CO 0.01 -0.58 -0.21 -0.36 0.23 0.00 0.00 176.35 175.44 1b2t s PHE 49 N 0.55 1.98 -0.12 0.29 0.40 -0.56 -4.93 117.98 115.59 1b2t s PHE 49 Ca 0.13 -0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 55.86 1b2t s PHE 49 Cb -0.19 -1.02 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 1b2t s PHE 49 CO -0.04 0.34 0.47 0.00 0.70 0.00 0.00 175.22 176.69 1b2t s ALA 51 N 0.62 1.76 0.05 0.00 0.00 -0.51 -1.98 121.76 121.69 1b2t s ALA 51 Ca 0.26 -0.83 -0.31 0.00 0.00 0.00 0.00 51.96 51.08 1b2t s ALA 51 Cb -0.15 -0.55 -0.06 0.00 0.00 0.00 0.00 23.12 22.36 1b2t s ALA 51 CO 0.10 0.34 1.35 0.34 0.00 0.00 0.00 175.76 177.90 1b2t s ASP 52 N -0.10 6.89 0.63 0.00 -1.08 -1.26 -1.55 116.67 120.20 1b2t s ASP 52 Ca -0.02 2.15 0.30 0.00 -0.52 0.00 0.00 52.55 54.47 1b2t s ASP 52 Cb -0.12 -2.57 1.65 0.00 -1.46 0.00 0.00 42.92 40.42 1b2t s ASP 52 CO 0.02 -0.65 1.98 -0.65 0.52 0.00 0.00 175.17 176.39 1b2t h PRO 53 N 7.31 0.00 0.00 4.34 0.11 -1.93 0.41 132.00 142.24 1b2t h PRO 53 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1b2t h PRO 53 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b2t h PRO 53 CO 0.87 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.29 1b2t n LYS 54 N -3.26 0.04 -2.55 1.05 4.76 -1.26 -4.34 118.16 112.60 1b2t n LYS 54 Ca 0.01 0.14 -0.41 0.00 -2.87 0.00 0.00 58.31 55.17 1b2t n LYS 54 Cb 0.42 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 32.02 1b2t n LYS 54 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1b2t s GLU 55 N -3.03 4.56 0.07 1.97 2.02 0.14 -4.96 118.70 119.47 1b2t s GLU 55 Ca 0.11 1.65 -0.32 0.00 0.02 0.00 0.00 54.97 56.43 1b2t s GLU 55 Cb 0.14 -3.34 -0.16 0.00 0.10 0.00 0.00 34.13 30.88 1b2t s GLU 55 CO 0.44 -0.02 1.50 0.37 0.02 0.00 0.00 175.26 177.57 1b2t h GLN 56 N 5.87 -0.89 0.00 1.61 -0.00 -1.87 -0.67 115.11 119.17 1b2t h GLN 56 Ca -0.43 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1b2t h GLN 56 Cb 1.21 0.20 0.00 0.00 0.00 0.00 0.00 27.48 28.90 1b2t h GLN 56 CO 0.75 -0.59 0.38 0.11 0.00 0.00 0.00 178.83 179.48 1b2t h TRP 57 N -0.93 0.00 0.07 3.99 5.08 -1.95 -0.27 115.95 121.95 1b2t h TRP 57 Ca -0.06 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.64 1b2t h TRP 57 Cb 0.80 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.94 1b2t h TRP 57 CO -0.22 0.00 -1.41 0.28 -1.28 0.00 0.00 178.44 175.81 1b2t h VAL 58 N 0.00 0.95 0.04 0.12 2.07 -1.53 -2.16 116.25 115.74 1b2t h VAL 58 Ca 0.00 -2.31 0.02 0.00 0.82 0.00 0.00 66.70 65.23 1b2t h VAL 58 Cb 0.76 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.05 1b2t h VAL 58 CO 0.00 0.61 -0.15 0.11 0.02 0.00 0.00 177.57 178.16 1b2t h LYS 59 N -0.50 -0.26 -0.11 1.57 1.57 0.35 -1.17 116.57 118.03 1b2t h LYS 59 Ca -0.33 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1b2t h LYS 59 Cb 1.62 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 1b2t h LYS 59 CO -0.03 -0.17 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.15 1b2t h ASP 60 N -0.27 0.26 -0.98 0.86 5.19 -1.60 -2.51 116.42 117.38 1b2t h ASP 60 Ca 0.04 -0.46 0.30 0.00 -0.62 0.00 0.00 57.03 56.29 1b2t h ASP 60 Cb 0.31 -0.07 -0.15 0.00 0.18 0.00 0.00 39.33 39.60 1b2t h ASP 60 CO -0.12 0.67 0.51 0.00 -3.12 0.00 0.00 179.24 177.18 1b2t h ALA 61 N 0.60 1.83 0.31 3.45 0.00 -1.21 0.41 119.26 124.65 1b2t h ALA 61 Ca 0.02 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1b2t h ALA 61 Cb 0.59 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1b2t h ALA 61 CO 0.02 -0.54 -0.15 0.52 0.00 0.00 0.00 179.25 179.10 1b2t h MET 62 N 0.31 -0.40 -0.91 0.00 2.86 -1.11 -2.46 114.93 113.22 1b2t h MET 62 Ca 0.70 0.03 0.26 0.00 -2.06 0.00 0.00 59.70 58.63 1b2t h MET 62 Cb 1.56 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 33.27 1b2t h MET 62 CO -0.61 -0.07 0.91 0.37 1.06 0.00 0.00 176.91 178.57 1b2t h GLN 63 N -0.90 0.00 0.10 1.72 4.15 -0.55 0.36 115.11 120.00 1b2t h GLN 63 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 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 -0.05 1.25 -1.93 0.00 0.00 178.83 178.17 1b2t h HIS 64 N 0.00 -0.13 0.00 3.99 2.76 -0.83 -2.72 115.15 118.22 1b2t h HIS 64 Ca 0.43 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1b2t h HIS 64 Cb 2.24 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 31.24 1b2t h HIS 64 CO 0.00 0.33 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.87 1b2t h LEU 65 N -0.93 0.00 -0.25 0.26 3.38 -0.01 -1.97 115.31 115.79 1b2t h LEU 65 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1b2t h LEU 65 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1b2t h LEU 65 CO 0.02 0.02 -0.22 0.44 0.09 0.00 0.00 178.44 178.80 1b2t h ASP 66 N 0.00 0.62 -0.19 -0.43 3.32 -0.61 -2.85 116.42 116.29 1b2t h ASP 66 Ca -0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1b2t h ASP 66 Cb 0.04 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1b2t h ASP 66 CO 0.00 0.95 0.00 -1.14 -1.72 0.00 0.00 179.24 177.34 1b2t n ARG 67 N -4.38 1.83 -0.08 3.56 0.63 -0.85 -4.06 116.66 113.31 1b2t n ARG 67 Ca -0.04 -0.85 -0.06 0.00 -0.92 0.00 0.00 57.85 55.97 1b2t n ARG 67 Cb 0.42 -1.45 -0.02 0.00 0.45 0.00 0.00 32.46 31.86 1b2t n ARG 67 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1b2t n GLN 68 N 0.16 0.48 -0.28 -0.14 7.27 -0.80 -4.36 117.38 119.71 1b2t n GLN 68 Ca 0.08 0.45 0.22 0.00 0.07 0.00 0.00 57.00 57.81 1b2t n GLN 68 Cb 0.36 -1.63 0.53 0.00 2.41 0.00 0.00 30.24 31.91 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1b2t h ALA 69 N -0.99 2.28 -0.97 1.69 0.00 -1.70 -0.59 119.26 118.97 1b2t h ALA 69 Ca -0.01 0.03 0.32 0.00 0.00 0.00 0.00 54.91 55.24 1b2t h ALA 69 Cb 0.66 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.30 1b2t h ALA 69 CO -0.01 -0.61 0.44 0.00 0.00 0.00 0.00 179.25 179.07 1b2t h ALA 70 N 1.60 1.77 0.00 0.00 0.00 -1.76 2.03 119.26 122.90 1b2t h ALA 70 Ca 0.53 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1b2t h ALA 70 Cb 1.38 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1b2t h ALA 70 CO -0.21 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.42 1b2t n ALA 71 N -2.45 1.11 -0.17 0.00 0.00 -0.23 -0.30 120.51 118.47 1b2t n ALA 71 Ca 0.30 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.94 1b2t n ALA 71 Cb 0.95 -1.22 0.23 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.98 3.40 -0.77 0.00 7.99 0.69 -4.94 117.00 121.39 1b2t n LEU 72 Ca -0.00 -1.89 -0.07 0.00 -0.01 0.00 0.00 56.01 54.04 1b2t n LEU 72 Cb 0.04 -0.34 -0.00 0.00 -0.11 0.00 0.00 43.42 43.01 1b2t n LEU 72 CO 0.07 0.83 -0.09 0.35 -1.51 0.00 0.00 177.39 177.05 1b2t n THR 73 N 1.14 -0.31 0.00 -5.08 -2.24 0.59 -4.74 114.28 103.64 1b2t n THR 73 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1b2t n THR 73 Cb 0.53 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.70 0.00 -0.18 -0.78 3.00 -1.19 0.12 116.66 115.93 1b2t n ARG 74 Ca -0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.78 1b2t n ARG 74 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.02 1b2t n ARG 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1b2t n ASN 75 N 1.70 0.53 0.00 6.15 5.03 -1.26 -5.01 115.26 122.39 1b2t n ASN 75 Ca 0.00 -1.70 0.00 0.00 0.87 0.00 0.00 54.58 53.75 1b2t n ASN 75 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04