#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 -1.51 0.03 7.27 -1.26 -4.43 117.38 117.48 1b2t n GLN 1 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1b2t n GLN 1 Cb 0.00 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.49 1b2t n GLN 1 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1b2t n HIS 2 N 0.00 0.50 0.00 3.69 8.25 -1.26 -2.89 115.22 123.51 1b2t n HIS 2 Ca 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1b2t n HIS 2 Cb 0.00 -1.75 0.00 0.00 1.12 0.00 0.00 29.99 29.36 1b2t n HIS 2 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1b2t n HIS 3 N 9.93 0.00 0.00 4.41 -0.00 -1.26 -5.11 115.22 123.19 1b2t n HIS 3 Ca 0.62 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.80 1b2t n HIS 3 Cb 0.16 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 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 0.00 0.61 3.15 1.57 0.00 -1.14 -5.08 105.19 104.30 1b2t n GLY 4 Ca 0.00 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 1b2t n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b2t s VAL 5 N 0.00 3.11 -0.23 1.61 1.01 -1.26 -4.89 120.40 119.75 1b2t s VAL 5 Ca 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 61.98 60.33 1b2t s VAL 5 Cb 0.00 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 1b2t s VAL 5 CO 0.00 -0.39 0.25 0.35 0.00 0.00 0.00 175.10 175.31 1b2t n THR 6 N 4.60 0.00 -3.85 3.92 -2.24 -1.26 -5.02 114.28 110.43 1b2t n THR 6 Ca -0.07 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.16 1b2t n THR 6 Cb 0.42 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.49 1b2t n THR 6 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1b2t n LYS 7 N -1.31 -4.45 -3.59 -0.78 3.00 -1.26 -4.88 118.16 104.89 1b2t n LYS 7 Ca 0.01 0.54 -0.28 0.00 -0.00 0.00 0.00 58.31 58.57 1b2t n LYS 7 Cb 0.12 -5.04 -0.11 0.00 0.00 0.00 0.00 35.03 30.00 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 2.73 0.11 -3.77 0.00 0.23 -1.26 -3.57 115.26 109.74 1b2t n ASN 9 Ca 0.23 0.92 -0.24 0.00 -0.53 0.00 0.00 54.58 54.96 1b2t n ASN 9 Cb 0.42 -0.45 -0.17 0.00 -2.08 0.00 0.00 39.78 37.49 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 -4.66 0.45 -0.21 1.53 2.07 -1.26 -5.12 121.20 114.00 1b2t s ILE 10 Ca -0.05 -0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.06 1b2t s ILE 10 Cb 0.22 -0.70 -0.02 0.00 0.13 0.00 0.00 42.46 42.09 1b2t s ILE 10 CO 0.61 0.13 -0.02 0.28 -1.91 0.00 0.00 174.94 174.03 1b2t s THR 11 N 1.93 3.67 -1.40 4.00 -1.32 -1.23 -4.76 115.64 116.53 1b2t s THR 11 Ca 0.03 -0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 60.00 1b2t s THR 11 Cb -0.14 -2.66 -0.05 0.00 -1.51 0.00 0.00 72.50 68.14 1b2t s THR 11 CO -0.06 0.43 2.55 0.00 -2.21 0.00 0.00 174.62 175.33 1b2t h SER 13 N 5.71 0.00 -3.84 0.00 0.02 -1.92 -3.05 113.55 110.46 1b2t h SER 13 Ca 0.70 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.36 1b2t h SER 13 Cb 0.39 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 1b2t h SER 13 CO 1.77 0.12 -0.22 1.17 -1.14 0.00 0.00 176.83 178.54 1b2t n LYS 14 N -3.20 0.47 -4.47 3.45 3.00 -1.26 -5.01 118.16 111.14 1b2t n LYS 14 Ca 0.01 -2.42 -0.22 0.00 -0.00 0.00 0.00 58.31 55.68 1b2t n LYS 14 Cb 0.45 2.18 -0.14 0.00 0.00 0.00 0.00 35.03 37.52 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 -2.82 1.12 0.39 1.64 -1.94 -1.26 -4.63 119.30 111.78 1b2t s MET 15 Ca 0.27 -0.83 -0.00 0.00 -1.71 0.00 0.00 55.69 53.41 1b2t s MET 15 Cb 0.00 -1.17 0.08 0.00 2.01 0.00 0.00 34.83 35.75 1b2t s MET 15 CO 0.19 0.29 0.53 -2.37 -0.01 0.00 0.00 175.02 173.65 1b2t n THR 16 N 1.87 0.00 -3.44 2.05 5.66 -1.23 -5.05 114.28 114.15 1b2t n THR 16 Ca -0.18 -0.83 -0.22 0.00 -3.05 0.00 0.00 64.05 59.77 1b2t n THR 16 Cb 0.54 -1.12 0.01 0.00 -1.55 0.00 0.00 70.33 68.21 1b2t n THR 16 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1b2t s SER 17 N -3.15 4.98 0.55 1.09 1.04 -1.26 -4.97 113.70 111.98 1b2t s SER 17 Ca 0.35 -0.92 -0.20 0.00 0.48 0.00 0.00 55.95 55.66 1b2t s SER 17 Cb -0.02 0.07 -0.07 0.00 0.10 0.00 0.00 66.02 66.10 1b2t s SER 17 CO 0.23 -1.06 0.94 1.17 0.98 0.00 0.00 173.24 175.50 1b2t n LYS 18 N -1.89 0.99 -3.75 4.02 4.81 -1.26 -5.02 118.16 116.05 1b2t n LYS 18 Ca 0.06 0.38 -0.13 0.00 -0.87 0.00 0.00 58.31 57.75 1b2t n LYS 18 Cb 0.62 -2.10 -0.11 0.00 0.02 0.00 0.00 35.03 33.46 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 -1.48 -0.01 0.20 3.15 1.01 -1.26 -5.14 121.20 117.68 1b2t s ILE 19 Ca 0.72 0.03 -0.33 0.00 0.00 0.00 0.00 60.65 61.07 1b2t s ILE 19 Cb -0.45 -0.45 -0.13 0.00 0.01 0.00 0.00 42.46 41.43 1b2t s ILE 19 CO 0.50 0.01 1.52 -2.65 0.00 0.00 0.00 174.94 174.33 1b2t n PRO 20 N 3.21 2.16 0.25 2.79 -0.02 -1.26 -4.87 135.00 137.26 1b2t n PRO 20 Ca -0.15 0.78 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 1b2t n PRO 20 Cb 0.57 -2.51 0.63 0.00 -0.02 0.00 0.00 33.50 32.17 1b2t n PRO 20 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1b2t h VAL 21 N 3.40 0.36 0.00 -1.45 2.07 -1.94 -2.42 116.25 116.28 1b2t h VAL 21 Ca -0.45 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1b2t h VAL 21 Cb 1.26 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1b2t h VAL 21 CO 0.84 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.55 1b2t n ALA 22 N -2.19 1.24 -0.01 1.67 0.00 -1.26 -1.31 120.51 118.65 1b2t n ALA 22 Ca -0.00 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1b2t n ALA 22 Cb 0.33 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.84 0.00 -4.74 0.00 4.77 -0.91 -4.97 117.00 109.31 1b2t n LEU 23 Ca 0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1b2t n LEU 23 Cb 0.08 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1b2t n LEU 23 CO 0.08 0.01 0.78 -0.76 -1.33 0.00 0.00 177.39 176.17 1b2t s LEU 24 N -4.16 4.50 -0.18 2.23 1.43 -0.43 -2.09 118.68 119.99 1b2t s LEU 24 Ca -0.06 2.08 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 1b2t s LEU 24 Cb 0.10 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.61 1b2t s LEU 24 CO 0.68 -0.18 -0.17 2.30 0.23 0.00 0.00 176.35 179.21 1b2t n ILE 25 N 2.23 1.00 -3.60 -0.59 -5.35 -0.30 -4.83 119.36 107.92 1b2t n ILE 25 Ca 0.02 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 62.05 1b2t n ILE 25 Cb 0.46 -1.22 -0.02 0.00 -1.74 0.00 0.00 39.64 37.12 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 -2.35 -0.37 0.05 4.28 3.76 -0.96 -5.06 115.29 114.64 1b2t s HIS 26 Ca -0.24 0.08 0.05 0.00 -0.15 0.00 0.00 55.06 54.80 1b2t s HIS 26 Cb 0.07 0.61 -0.02 0.00 1.11 0.00 0.00 32.58 34.35 1b2t s HIS 26 CO 0.39 -0.94 -0.14 1.52 -0.85 0.00 0.00 174.74 174.72 1b2t s TYR 27 N -3.70 1.19 0.00 1.40 -0.85 -1.26 -0.71 117.35 113.42 1b2t s TYR 27 Ca 0.06 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 1b2t s TYR 27 Cb -0.03 -0.69 0.00 0.00 0.38 0.00 0.00 41.96 41.62 1b2t s TYR 27 CO -0.05 0.04 0.00 1.04 -1.52 0.00 0.00 175.55 175.06 1b2t n GLN 28 N 1.71 2.59 -3.77 -3.49 6.02 0.73 -4.95 117.38 116.22 1b2t n GLN 28 Ca -0.19 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.50 1b2t n GLN 28 Cb 0.55 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.65 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 -0.98 0.83 0.18 -1.09 2.00 -1.26 -1.87 119.66 117.46 1b2t s GLN 29 Ca 0.00 -1.14 -0.31 0.00 -2.00 0.00 0.00 55.36 51.92 1b2t s GLN 29 Cb 0.00 -2.15 -0.17 0.00 0.80 0.00 0.00 33.01 31.49 1b2t s GLN 29 CO 0.00 -0.95 0.80 -1.71 -0.50 0.00 0.00 175.29 172.93 1b2t n ASN 30 N 4.78 -0.16 -4.68 6.67 5.15 -1.21 -4.81 115.26 121.01 1b2t n ASN 30 Ca -0.02 1.15 -0.42 0.00 -0.60 0.00 0.00 54.58 54.68 1b2t n ASN 30 Cb 0.42 -1.05 -0.03 0.00 -0.53 0.00 0.00 39.78 38.59 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 -0.84 4.20 -1.02 1.20 -1.52 -1.26 -4.74 119.66 115.68 1b2t s GLN 31 Ca 0.69 2.24 -0.24 0.00 -1.95 0.00 0.00 55.36 56.09 1b2t s GLN 31 Cb -0.93 -3.76 -0.10 0.00 -0.22 0.00 0.00 33.01 28.00 1b2t s GLN 31 CO 0.56 -0.76 2.03 0.00 -0.25 0.00 0.00 175.29 176.87 1b2t s ALA 32 N 3.21 1.41 0.00 6.09 0.00 -1.26 -3.16 121.76 128.04 1b2t s ALA 32 Ca 0.73 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1b2t s ALA 32 Cb -0.36 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.13 1b2t s ALA 32 CO 0.31 -5.44 0.00 -1.13 0.00 0.00 0.00 175.76 169.50 1b2t n SER 33 N 15.61 0.00 -4.53 0.00 3.41 -1.26 -5.09 113.62 121.77 1b2t n SER 33 Ca 0.43 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.70 1b2t n SER 33 Cb 0.46 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 3.25 3.48 3.19 0.00 0.00 -1.26 -3.90 105.19 109.94 1b2t n GLY 35 Ca -0.18 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 0.87 -1.04 1.61 3.01 -1.15 -4.94 119.74 118.10 1b2t s LYS 36 Ca 0.00 -1.01 -0.24 0.00 -1.01 0.00 0.00 55.97 53.71 1b2t s LYS 36 Cb 0.00 -0.87 -0.07 0.00 -1.01 0.00 0.00 37.83 35.89 1b2t s LYS 36 CO 0.00 0.19 1.94 -0.98 0.51 0.00 0.00 175.35 177.01 1b2t s ARG 37 N -1.90 2.53 0.00 1.68 1.70 -1.26 -4.57 118.95 117.13 1b2t s ARG 37 Ca 0.00 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1b2t s ARG 37 Cb -0.09 -5.15 0.00 0.00 -0.57 0.00 0.00 34.95 29.14 1b2t s ARG 37 CO 0.02 -3.66 0.00 0.00 -1.08 0.00 0.00 175.30 170.59 1b2t n ALA 38 N 14.14 0.00 -2.73 7.88 0.00 -1.26 -4.84 120.51 133.70 1b2t n ALA 38 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.58 1b2t n ALA 38 Cb 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 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 0.25 4.17 -0.18 0.00 -1.09 -0.42 -3.29 121.20 120.63 1b2t s ILE 39 Ca 0.00 -1.09 -0.07 0.00 -2.23 0.00 0.00 60.65 57.27 1b2t s ILE 39 Cb 0.00 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 1b2t s ILE 39 CO 0.00 -0.00 0.04 -0.63 -1.23 0.00 0.00 174.94 173.12 1b2t s ILE 40 N -1.56 4.57 -0.21 2.92 -1.09 -0.78 -1.46 121.20 123.59 1b2t s ILE 40 Ca 0.28 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1b2t s ILE 40 Cb -0.11 -3.05 0.03 0.00 -1.58 0.00 0.00 42.46 37.74 1b2t s ILE 40 CO 0.20 0.46 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.47 1b2t s LEU 41 N 0.46 2.62 -0.17 2.97 1.43 -0.82 -0.19 118.68 124.98 1b2t s LEU 41 Ca 0.02 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1b2t s LEU 41 Cb -0.13 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1b2t s LEU 41 CO 0.01 -0.06 -0.07 -0.70 0.23 0.00 0.00 176.35 175.76 1b2t s GLU 42 N 1.28 3.47 0.31 1.70 2.12 0.12 -2.05 118.70 125.65 1b2t s GLU 42 Ca 0.02 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.80 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 -0.09 0.09 0.32 0.95 -0.54 0.00 0.00 175.26 175.99 1b2t s THR 43 N 0.70 3.97 -0.26 -1.70 -4.23 -0.68 -1.15 115.64 112.29 1b2t s THR 43 Ca -0.04 -1.26 0.17 0.00 -1.18 0.00 0.00 61.69 59.38 1b2t s THR 43 Cb -0.15 -3.33 0.17 0.00 1.34 0.00 0.00 72.50 70.53 1b2t s THR 43 CO 0.02 -0.22 1.48 -2.11 -0.54 0.00 0.00 174.62 173.26 1b2t n ARG 44 N -1.40 0.11 -1.22 3.99 1.85 -0.89 -0.80 116.66 118.30 1b2t n ARG 44 Ca -0.03 0.60 -0.23 0.00 -1.00 0.00 0.00 57.85 57.19 1b2t n ARG 44 Cb 0.59 -1.93 0.15 0.00 -1.05 0.00 0.00 32.46 30.22 1b2t n ARG 44 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1b2t n GLN 45 N -2.10 2.36 -3.83 2.89 6.02 -1.26 -4.91 117.38 116.55 1b2t n GLN 45 Ca -0.01 -3.20 -0.23 0.00 -0.01 0.00 0.00 57.00 53.54 1b2t n GLN 45 Cb 0.10 -2.14 0.00 0.00 1.02 0.00 0.00 30.24 29.22 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 -1.78 -3.51 1.08 8.25 0.02 -4.93 115.22 113.29 1b2t n HIS 46 Ca 0.54 0.79 -0.42 0.00 -0.26 0.00 0.00 57.72 58.38 1b2t n HIS 46 Cb 1.23 -4.05 -0.09 0.00 1.12 0.00 0.00 29.99 28.20 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 -6.28 2.70 -0.41 -0.41 3.52 -1.21 -4.87 118.95 111.99 1b2t s ARG 47 Ca 0.01 -1.54 -0.08 0.00 -0.13 0.00 0.00 55.73 53.99 1b2t s ARG 47 Cb -0.01 -3.95 0.08 0.00 -1.56 0.00 0.00 34.95 29.51 1b2t s ARG 47 CO 0.85 -1.07 0.24 -0.51 -0.81 0.00 0.00 175.30 174.00 1b2t s LEU 48 N 1.48 5.07 0.13 -0.88 1.43 -1.23 -1.69 118.68 122.98 1b2t s LEU 48 Ca 0.04 -1.51 0.10 0.00 -1.03 0.00 0.00 54.13 51.73 1b2t s LEU 48 Cb -0.25 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1b2t s LEU 48 CO 0.02 -0.52 -0.24 -0.36 0.23 0.00 0.00 176.35 175.49 1b2t s PHE 49 N 1.40 2.09 -0.59 0.29 0.08 -0.87 -4.94 117.98 115.44 1b2t s PHE 49 Ca 0.03 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.49 1b2t s PHE 49 Cb -0.23 -1.11 0.09 0.00 -0.57 0.00 0.00 43.02 41.20 1b2t s PHE 49 CO 0.02 0.32 0.74 0.00 -0.10 0.00 0.00 175.22 176.20 1b2t s ALA 51 N 2.93 3.26 0.29 0.00 0.00 -0.54 -3.51 121.76 124.19 1b2t s ALA 51 Ca 0.14 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1b2t s ALA 51 Cb -0.22 -1.96 -0.11 0.00 0.00 0.00 0.00 23.12 20.84 1b2t s ALA 51 CO 0.08 -0.11 1.53 0.34 0.00 0.00 0.00 175.76 177.60 1b2t s ASP 52 N 0.91 6.48 0.00 0.00 2.15 -1.26 -1.30 116.67 123.65 1b2t s ASP 52 Ca 0.03 2.86 0.07 0.00 0.43 0.00 0.00 52.55 55.94 1b2t s ASP 52 Cb -0.14 -2.63 0.32 0.00 -0.30 0.00 0.00 42.92 40.17 1b2t s ASP 52 CO 0.03 -0.83 1.11 -0.81 -0.17 0.00 0.00 175.17 174.50 1b2t n PRO 53 N 2.04 0.07 0.09 4.34 -0.04 -1.26 -1.62 135.00 138.62 1b2t n PRO 53 Ca 0.07 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 1b2t n PRO 53 Cb 0.39 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.71 1b2t n PRO 53 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1b2t n LYS 54 N -1.35 0.25 -2.84 0.54 2.85 -1.26 -4.71 118.16 111.64 1b2t n LYS 54 Ca 0.03 0.18 -0.41 0.00 -1.05 0.00 0.00 58.31 57.06 1b2t n LYS 54 Cb 0.06 -1.77 -0.04 0.00 -0.65 0.00 0.00 35.03 32.63 1b2t n LYS 54 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1b2t s GLU 55 N -3.11 4.56 0.09 -1.58 2.02 -0.64 -4.97 118.70 115.07 1b2t s GLU 55 Ca 0.10 1.25 -0.22 0.00 0.02 0.00 0.00 54.97 56.11 1b2t s GLU 55 Cb 0.13 -3.41 -0.13 0.00 0.10 0.00 0.00 34.13 30.82 1b2t s GLU 55 CO 0.62 0.12 1.72 0.37 0.02 0.00 0.00 175.26 178.11 1b2t h GLN 56 N 6.21 0.09 -0.01 1.61 -0.00 -1.89 -1.72 115.11 119.40 1b2t h GLN 56 Ca -0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 1b2t h GLN 56 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.67 1b2t h GLN 56 CO 0.73 0.09 0.47 0.11 0.00 0.00 0.00 178.83 180.23 1b2t h TRP 57 N 0.06 0.00 0.10 3.99 5.08 -1.96 0.31 115.95 123.53 1b2t h TRP 57 Ca 0.02 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.69 1b2t h TRP 57 Cb 0.02 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.17 1b2t h TRP 57 CO -0.06 0.00 -1.63 0.28 -1.28 0.00 0.00 178.44 175.74 1b2t h VAL 58 N 0.00 0.84 -0.52 0.12 2.07 -1.65 -2.11 116.25 115.01 1b2t h VAL 58 Ca 0.00 -2.34 -0.10 0.00 0.82 0.00 0.00 66.70 65.09 1b2t h VAL 58 Cb 0.94 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 1b2t h VAL 58 CO -0.00 0.71 -0.07 0.11 0.02 0.00 0.00 177.57 178.34 1b2t h LYS 59 N -0.27 0.96 -0.08 1.57 1.57 -0.31 -2.33 116.57 117.68 1b2t h LYS 59 Ca -0.36 -0.34 -0.17 0.00 -1.87 0.00 0.00 60.65 57.90 1b2t h LYS 59 Cb 1.80 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 34.05 1b2t h LYS 59 CO 0.02 1.01 -0.61 -0.44 -0.57 0.00 0.00 179.45 178.87 1b2t h ASP 60 N 0.83 0.67 -0.64 0.86 5.19 -0.71 -2.39 116.42 120.22 1b2t h ASP 60 Ca 0.14 -0.67 0.13 0.00 -0.62 0.00 0.00 57.03 56.00 1b2t h ASP 60 Cb 0.63 -0.20 -0.09 0.00 0.18 0.00 0.00 39.33 39.84 1b2t h ASP 60 CO 0.04 1.24 0.13 0.00 -3.12 0.00 0.00 179.24 177.53 1b2t h ALA 61 N 0.44 0.77 0.22 3.45 0.00 -1.31 -1.06 119.26 121.78 1b2t h ALA 61 Ca -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1b2t h ALA 61 Cb 1.27 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1b2t h ALA 61 CO 0.12 -0.32 -0.11 0.52 0.00 0.00 0.00 179.25 179.46 1b2t h MET 62 N 0.25 -0.29 -1.33 0.00 2.86 -1.45 -2.47 114.93 112.50 1b2t h MET 62 Ca 0.35 0.02 0.39 0.00 -2.06 0.00 0.00 59.70 58.39 1b2t h MET 62 Cb 0.54 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1b2t h MET 62 CO -0.45 0.04 1.04 0.37 1.06 0.00 0.00 176.91 178.98 1b2t h GLN 63 N -0.65 0.00 0.05 1.72 4.15 -0.86 0.45 115.11 119.97 1b2t h GLN 63 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1b2t h GLN 63 Cb 0.46 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1b2t h GLN 63 CO 0.05 0.00 -0.02 1.25 -1.93 0.00 0.00 178.83 178.18 1b2t h HIS 64 N 0.00 -0.06 -0.13 3.99 2.76 -0.89 -3.23 115.15 117.59 1b2t h HIS 64 Ca 0.63 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.84 1b2t h HIS 64 Cb 2.71 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 31.69 1b2t h HIS 64 CO 0.00 0.58 0.15 -0.07 -1.30 0.00 0.00 177.93 177.30 1b2t h LEU 65 N -0.84 0.00 0.00 0.26 3.38 0.25 0.22 115.31 118.57 1b2t h LEU 65 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1b2t h LEU 65 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1b2t h LEU 65 CO 0.01 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.01 1b2t n ASP 66 N -3.77 0.00 -1.02 -0.43 8.00 -0.06 -2.37 116.55 116.90 1b2t n ASP 66 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1b2t n ASP 66 Cb 0.26 -0.25 0.21 0.00 -0.02 0.00 0.00 41.12 41.32 1b2t n ASP 66 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b2t n ARG 67 N -1.25 2.13 0.00 -1.24 1.74 0.77 -4.28 116.66 114.52 1b2t n ARG 67 Ca 0.09 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1b2t n ARG 67 Cb 0.14 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1b2t n ARG 67 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1b2t n GLN 68 N -0.96 0.00 0.28 5.56 1.13 -1.00 -4.83 117.38 117.56 1b2t n GLN 68 Ca 0.29 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.53 1b2t n GLN 68 Cb 0.97 -0.00 0.74 0.00 0.11 0.00 0.00 30.24 32.06 1b2t n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b2t h ALA 69 N 0.00 1.00 -1.06 -1.58 0.00 -1.85 -3.11 119.26 112.65 1b2t h ALA 69 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.22 1b2t h ALA 69 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1b2t h ALA 69 CO 0.00 0.00 0.65 0.00 0.00 0.00 0.00 179.25 179.90 1b2t h ALA 70 N 2.01 2.13 -2.22 0.00 0.00 -1.81 -3.42 119.26 115.95 1b2t h ALA 70 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1b2t h ALA 70 Cb 0.45 0.09 0.06 0.00 0.00 0.00 0.00 17.79 18.40 1b2t h ALA 70 CO 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 179.25 178.55 1b2t n ALA 71 N -2.39 -1.51 -0.70 0.00 0.00 -1.18 -1.37 120.51 113.37 1b2t n ALA 71 Ca 0.30 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1b2t n ALA 71 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 0.00 0.00 -3.84 0.00 7.99 -1.26 -3.60 117.00 116.29 1b2t n LEU 72 Ca 0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.74 1b2t n LEU 72 Cb 0.17 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.34 1b2t n LEU 72 CO 0.11 0.00 -0.24 0.28 -1.51 0.00 0.00 177.39 176.03 1b2t s THR 73 N 0.00 1.89 0.00 -5.08 -1.32 -1.25 -5.05 115.64 104.83 1b2t s THR 73 Ca 0.00 -2.71 0.00 0.00 -1.21 0.00 0.00 61.69 57.77 1b2t s THR 73 Cb 0.00 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.65 1b2t s THR 73 CO 0.00 -0.81 0.00 -2.11 -2.21 0.00 0.00 174.62 169.49 1b2t n ARG 74 N 3.58 0.00 -3.55 7.08 1.85 -0.47 -4.32 116.66 120.82 1b2t n ARG 74 Ca 0.06 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.63 1b2t n ARG 74 Cb 0.35 -0.40 -0.11 0.00 -1.05 0.00 0.00 32.46 31.26 1b2t n ARG 74 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1b2t s ASN 75 N -2.45 2.51 0.00 2.89 4.22 -1.26 -4.76 114.94 116.08 1b2t s ASN 75 Ca 0.00 -3.33 0.00 0.00 -2.14 0.00 0.00 52.86 47.39 1b2t s ASN 75 Cb 0.00 -0.82 0.00 0.00 1.28 0.00 0.00 41.25 41.71 1b2t s ASN 75 CO 0.00 -0.14 0.23 0.61 -2.04 0.00 0.00 177.10 175.76